2286 | | > select #1/B:147-186 |
2287 | | |
2288 | | 315 atoms, 320 bonds, 40 residues, 1 model selected |
2289 | | |
2290 | | > select #1/C:148-185 |
2291 | | |
2292 | | 299 atoms, 304 bonds, 38 residues, 1 model selected |
2293 | | |
2294 | | > select #1/B:147-186 |
2295 | | |
2296 | | 315 atoms, 320 bonds, 40 residues, 1 model selected |
2297 | | |
2298 | | > select #1/B:147-186 & #1/C:148-185 |
2299 | | |
2300 | | Nothing selected |
2301 | | |
2302 | | > select #1/B:147-186 & /C:148-185 |
2303 | | |
2304 | | Nothing selected |
2305 | | |
2306 | | > select #1/B:147-186, C:148-185 |
2307 | | |
2308 | | 315 atoms, 320 bonds, 40 residues, 1 model selected |
2309 | | |
2310 | | > select #1/B:147-186, #1/C:148-185 |
2311 | | |
2312 | | Expected an objects specifier or a keyword |
2313 | | |
2314 | | > select add #1 |
2315 | | |
2316 | | 9249 atoms, 8743 bonds, 5 pseudobonds, 1789 residues, 2 models selected |
2317 | | |
2318 | | > select subtract #1 |
2319 | | |
2320 | | Nothing selected |
2321 | | |
2322 | | > select add #1 |
2323 | | |
2324 | | 9249 atoms, 8743 bonds, 5 pseudobonds, 1789 residues, 2 models selected |
2325 | | |
2326 | | > show #!3 models |
2327 | | |
2328 | | > ~select |
2329 | | |
2330 | | Nothing selected |
2331 | | |
2332 | | > select #1/B |
2333 | | |
2334 | | 2489 atoms, 2398 bonds, 2 pseudobonds, 450 residues, 2 models selected |
2335 | | |
2336 | | > matchmaker #1/E to #3/E |
2337 | | |
2338 | | Parameters |
2339 | | --- |
2340 | | Chain pairing | bb |
2341 | | Alignment algorithm | Needleman-Wunsch |
2342 | | Similarity matrix | BLOSUM-62 |
2343 | | SS fraction | 0.3 |
2344 | | Gap open (HH/SS/other) | 18/18/6 |
2345 | | Gap extend | 1 |
2346 | | SS matrix | | | H | S | O |
2347 | | ---|---|---|--- |
2348 | | H | 6 | -9 | -6 |
2349 | | S | | 6 | -6 |
2350 | | O | | | 4 |
2351 | | Iteration cutoff | 2 |
2352 | | |
2353 | | Matchmaker MolBC_WT_final_structure_chains_renamed.pdb, chain E (#3) with |
2354 | | MolBC_chains_renamed.pdb, chain E (#1), sequence alignment score = 1188 |
2355 | | RMSD between 242 pruned atom pairs is 0.927 angstroms; (across all 244 pairs: |
2356 | | 0.967) |
2357 | | |
2358 | | |
2359 | | > ~select |
2360 | | |
2361 | | Nothing selected |
2362 | | |
2363 | | > select #1/B |
2364 | | |
2365 | | 2489 atoms, 2398 bonds, 2 pseudobonds, 450 residues, 2 models selected |
2366 | | |
2367 | | > ~SEL |
2368 | | |
2369 | | Unknown command: ~SEL |
2370 | | |
2371 | | > ~select |
2372 | | |
2373 | | Nothing selected |
2374 | | |
2375 | | > matchmaker #1/B:147-186 to #3/B:149-186 |
2376 | | |
2377 | | Parameters |
2378 | | --- |
2379 | | Chain pairing | bb |
2380 | | Alignment algorithm | Needleman-Wunsch |
2381 | | Similarity matrix | BLOSUM-62 |
2382 | | SS fraction | 0.3 |
2383 | | Gap open (HH/SS/other) | 18/18/6 |
2384 | | Gap extend | 1 |
2385 | | SS matrix | | | H | S | O |
2386 | | ---|---|---|--- |
2387 | | H | 6 | -9 | -6 |
2388 | | S | | 6 | -6 |
2389 | | O | | | 4 |
2390 | | Iteration cutoff | 2 |
2391 | | |
2392 | | Matchmaker MolBC_WT_final_structure_chains_renamed.pdb, chain B (#3) with |
2393 | | MolBC_chains_renamed.pdb, chain B (#1), sequence alignment score = 189.9 |
2394 | | RMSD between 38 pruned atom pairs is 0.500 angstroms; (across all 38 pairs: |
2395 | | 0.500) |
2396 | | |
2397 | | |
2398 | | > select #1/B |
2399 | | |
2400 | | 2489 atoms, 2398 bonds, 2 pseudobonds, 450 residues, 2 models selected |
2401 | | |
2402 | | > select |
2403 | | |
2404 | | 26078 atoms, 25916 bonds, 25 pseudobonds, 3985 residues, 7 models selected |
2405 | | |
2406 | | > ~select |
2407 | | |
2408 | | Nothing selected |
2409 | | |
2410 | | > matchmaker #1/C:148-185 to #3/C:147-185 |
2411 | | |
2412 | | Parameters |
2413 | | --- |
2414 | | Chain pairing | bb |
2415 | | Alignment algorithm | Needleman-Wunsch |
2416 | | Similarity matrix | BLOSUM-62 |
2417 | | SS fraction | 0.3 |
2418 | | Gap open (HH/SS/other) | 18/18/6 |
2419 | | Gap extend | 1 |
2420 | | SS matrix | | | H | S | O |
2421 | | ---|---|---|--- |
2422 | | H | 6 | -9 | -6 |
2423 | | S | | 6 | -6 |
2424 | | O | | | 4 |
2425 | | Iteration cutoff | 2 |
2426 | | |
2427 | | Matchmaker MolBC_WT_final_structure_chains_renamed.pdb, chain C (#3) with |
2428 | | MolBC_chains_renamed.pdb, chain C (#1), sequence alignment score = 189.2 |
2429 | | RMSD between 38 pruned atom pairs is 0.592 angstroms; (across all 38 pairs: |
2430 | | 0.592) |
2431 | | |
2432 | | |
2433 | | > select #1/B |
2434 | | |
2435 | | 2489 atoms, 2398 bonds, 2 pseudobonds, 450 residues, 2 models selected |
2436 | | |
2437 | | > ~select |
2438 | | |
2439 | | Nothing selected |
2440 | | |
2441 | | > ui mousemode right select |
2442 | | |
2443 | | Drag select of 409 residues, 4 pseudobonds |
2444 | | |
2445 | | > ~select |
2446 | | |
2447 | | Nothing selected |
2448 | | |
2449 | | > ui mousemode right zoom |
2450 | | |
2451 | | > ui mousemode right "translate selected models" |
2452 | | |
2453 | | > select |
2454 | | |
2455 | | 26078 atoms, 25916 bonds, 25 pseudobonds, 3985 residues, 7 models selected |
2456 | | |
2457 | | > matchmaker |
2458 | | |
2459 | | Missing or invalid "matchAtoms" argument: empty atom specifier |
2460 | | |
2461 | | > ~select |
2462 | | |
2463 | | Nothing selected |
2464 | | |
2465 | | > align |
2466 | | |
2467 | | Missing or invalid "atoms" argument: empty atom specifier |
2468 | | |
2469 | | > ui tool show Matchmaker |
2470 | | |
2471 | | > matchmaker #!3 & sel to #1 & sel showAlignment true |
2472 | | |
2473 | | No 'to' model specified |
2474 | | |
2475 | | > matchmaker #!3 & sel to #1 & sel showAlignment true |
2476 | | |
2477 | | No 'to' model specified |
2478 | | |
2479 | | > matchmaker #!3 to #1 showAlignment true |
2480 | | |
2481 | | Parameters |
2482 | | --- |
2483 | | Chain pairing | bb |
2484 | | Alignment algorithm | Needleman-Wunsch |
2485 | | Similarity matrix | BLOSUM-62 |
2486 | | SS fraction | 0.3 |
2487 | | Gap open (HH/SS/other) | 18/18/6 |
2488 | | Gap extend | 1 |
2489 | | SS matrix | | | H | S | O |
2490 | | ---|---|---|--- |
2491 | | H | 6 | -9 | -6 |
2492 | | S | | 6 | -6 |
2493 | | O | | | 4 |
2494 | | Iteration cutoff | 2 |
2495 | | |
2496 | | Matchmaker MolBC_chains_renamed.pdb, chain B (#1) with |
2497 | | MolBC_WT_final_structure_chains_renamed.pdb, chain B (#3), sequence alignment |
2498 | | score = 1451.5 |
2499 | | Alignment identifier is 1 |
2500 | | Showing conservation header ("seq_conservation" residue attribute) for |
2501 | | alignment 1 |
2502 | | Hiding conservation header for alignment 1 |
2503 | | Chains used in RMSD evaluation for alignment 1: MolBC_chains_renamed.pdb #1/B, |
2504 | | MolBC_WT_final_structure_chains_renamed.pdb #3/B |
2505 | | Showing rmsd header ("seq_rmsd" residue attribute) for alignment 1 |
2506 | | RMSD between 296 pruned atom pairs is 0.913 angstroms; (across all 301 pairs: |
2507 | | 1.077) |
2508 | | |
2509 | | |
2510 | | > select #1/B |
2511 | | |
2512 | | 2489 atoms, 2398 bonds, 2 pseudobonds, 450 residues, 2 models selected |
2513 | | |
2514 | | > ~select |
2515 | | |
2516 | | Nothing selected |
2517 | | |
2518 | | > select TM5_5a_crystal |
2519 | | |
2520 | | Nothing selected |
2521 | | |
2522 | | > hide #!3 models |
2523 | | |
2524 | | > select #1/B:147 |
2525 | | |
2526 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
2527 | | |
2528 | | > select #1/B:147-150 |
2529 | | |
2530 | | 32 atoms, 31 bonds, 4 residues, 1 model selected |
2531 | | |
2532 | | > select #1/B:147 |
2533 | | |
2534 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
2535 | | |
2536 | | > select #1/B:147-186 |
2537 | | |
2538 | | 315 atoms, 320 bonds, 40 residues, 1 model selected |
2539 | | |
2540 | | > ui mousemode right select |
2541 | | |
2542 | | > select #1/C:148-185 |
2543 | | |
2544 | | 299 atoms, 304 bonds, 38 residues, 1 model selected |
2545 | | |
2546 | | > select #1/C:147 |
2547 | | |
2548 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
2549 | | |
2550 | | > select #1/C:5-147 |
2551 | | |
2552 | | 855 atoms, 871 bonds, 2 pseudobonds, 117 residues, 2 models selected |
2553 | | |
2554 | | > cartoon hide (#!1 & sel) |
2555 | | |
2556 | | > select #1/C:171-172 |
2557 | | |
2558 | | 14 atoms, 13 bonds, 2 residues, 1 model selected |
2559 | | |
2560 | | > select #1/C:171-330 |
2561 | | |
2562 | | 1229 atoms, 1257 bonds, 160 residues, 1 model selected |
2563 | | |
2564 | | > cartoon hide sel |
2565 | | |
2566 | | > select #1/B:146 |
2567 | | |
2568 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
2569 | | |
2570 | | > select #1/B:6-146 |
2571 | | |
2572 | | 936 atoms, 956 bonds, 2 pseudobonds, 124 residues, 2 models selected |
2573 | | |
2574 | | > cartoon hide (#!1 & sel) |
2575 | | |
2576 | | > select #1/B:171 |
2577 | | |
2578 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
2579 | | |
2580 | | > select #1/B:171-330 |
2581 | | |
2582 | | 1229 atoms, 1257 bonds, 160 residues, 1 model selected |
2583 | | |
2584 | | > cartoon hide sel |
2585 | | |
2586 | | Drag select of 47 residues |
2587 | | |
2588 | | > select up |
2589 | | |
2590 | | 2828 atoms, 2888 bonds, 369 residues, 1 model selected |
2591 | | |
2592 | | > select up |
2593 | | |
2594 | | 2854 atoms, 2913 bonds, 372 residues, 1 model selected |
2595 | | |
2596 | | > select up |
2597 | | |
2598 | | 4135 atoms, 4226 bonds, 546 residues, 1 model selected |
2599 | | |
2600 | | > select up |
2601 | | |
2602 | | 4283 atoms, 4375 bonds, 565 residues, 1 model selected |
2603 | | |
2604 | | > select up |
2605 | | |
2606 | | 4605 atoms, 4703 bonds, 608 residues, 1 model selected |
2607 | | |
2608 | | > select down |
2609 | | |
2610 | | 4283 atoms, 4375 bonds, 565 residues, 1 model selected |
2611 | | |
2612 | | > select down |
2613 | | |
2614 | | 4135 atoms, 4226 bonds, 546 residues, 1 model selected |
2615 | | |
2616 | | > select down |
2617 | | |
2618 | | 2854 atoms, 2913 bonds, 372 residues, 1 model selected |
2619 | | |
2620 | | > select down |
2621 | | |
2622 | | 2828 atoms, 2888 bonds, 369 residues, 1 model selected |
2623 | | |
2624 | | > select down |
2625 | | |
2626 | | 356 atoms, 47 residues, 1 model selected |
2627 | | |
2628 | | > select down |
2629 | | |
2630 | | 356 atoms, 47 residues, 1 model selected |
2631 | | |
2632 | | > select down |
2633 | | |
2634 | | 356 atoms, 47 residues, 1 model selected |
2635 | | |
2636 | | > select down |
2637 | | |
2638 | | 356 atoms, 47 residues, 1 model selected |
2639 | | |
2640 | | > ~select |
2641 | | |
2642 | | Nothing selected |
2643 | | Drag select of 47 residues |
2644 | | |
2645 | | > select down |
2646 | | |
2647 | | 356 atoms, 47 residues, 1 model selected |
2648 | | |
2649 | | > select up |
2650 | | |
2651 | | 2828 atoms, 2888 bonds, 369 residues, 1 model selected |
2652 | | |
2653 | | > select down |
2654 | | |
2655 | | 356 atoms, 47 residues, 1 model selected |
2656 | | |
2657 | | > ~select |
2658 | | |
2659 | | Nothing selected |
2660 | | Drag select of 47 residues |
2661 | | |
2662 | | > name 5_5a_crystal #1/sel |
2663 | | |
2664 | | Not registering illegal selector name "5_5a_crystal" |
2665 | | |
2666 | | > name TM5_5a_crystal_real #1/sel |
2667 | | |
2668 | | > ~select |
2669 | | |
2670 | | Nothing selected |
2671 | | |
2672 | | > select TM5_5a_crystal_real |
2673 | | |
2674 | | Nothing selected |
2675 | | Drag select of 47 residues |
2676 | | |
2677 | | > name TM5_5a_crystal_real #1 |
2678 | | |
2679 | | > ~select |
2680 | | |
2681 | | Nothing selected |
2682 | | |
2683 | | > select TM5_5a_crystal_real |
2684 | | |
2685 | | 9249 atoms, 8743 bonds, 5 pseudobonds, 1789 residues, 2 models selected |
2686 | | |
2687 | | > ~select |
2688 | | |
2689 | | Nothing selected |
2690 | | |
2691 | | > show #!3 models |
2692 | | |
2693 | | > select #3/C:146 |
2694 | | |
2695 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
2696 | | |
2697 | | > select #3/C:7-146 |
2698 | | |
2699 | | 840 atoms, 857 bonds, 2 pseudobonds, 112 residues, 2 models selected |
2700 | | |
2701 | | > cartoon hide (#!3 & sel) |
2702 | | |
2703 | | > select #3/C:186-187 |
2704 | | |
2705 | | 12 atoms, 11 bonds, 2 residues, 1 model selected |
2706 | | |
2707 | | > select #3/C:186-328 |
2708 | | |
2709 | | 1087 atoms, 1111 bonds, 143 residues, 1 model selected |
2710 | | |
2711 | | > cartoon hide sel |
2712 | | |
2713 | | > select #3/C:172 |
2714 | | |
2715 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
2716 | | |
2717 | | > select #3/C:172-185 |
2718 | | |
2719 | | 117 atoms, 120 bonds, 14 residues, 1 model selected |
2720 | | |
2721 | | > cartoon hide sel |
2722 | | |
2723 | | > select #3/B:148 |
2724 | | |
2725 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
2726 | | |
2727 | | > select #3/B:6-148 |
2728 | | |
2729 | | 945 atoms, 965 bonds, 2 pseudobonds, 124 residues, 2 models selected |
2730 | | |
2731 | | > cartoon hide (#!3 & sel) |
2732 | | |
2733 | | > select #3/B:171-172 |
2734 | | |
2735 | | 14 atoms, 13 bonds, 2 residues, 1 model selected |
2736 | | |
2737 | | > select #3/B:172-328 |
2738 | | |
2739 | | 1204 atoms, 1232 bonds, 157 residues, 1 model selected |
2740 | | |
2741 | | > cartoon hide sel |
2742 | | |
2743 | | > ui tool show Matchmaker |
2744 | | |
2745 | | > select add #3 |
2746 | | |
2747 | | 8419 atoms, 8591 bonds, 20 pseudobonds, 1084 residues, 3 models selected |
2748 | | |
2749 | | > select subtract #3 |
2750 | | |
2751 | | Nothing selected |
2752 | | |
2753 | | > matchmaker #1/B,C:147-186 to #3/B,C:147-186 |
2754 | | |
2755 | | Parameters |
2756 | | --- |
2757 | | Chain pairing | bb |
2758 | | Alignment algorithm | Needleman-Wunsch |
2759 | | Similarity matrix | BLOSUM-62 |
2760 | | SS fraction | 0.3 |
2761 | | Gap open (HH/SS/other) | 18/18/6 |
2762 | | Gap extend | 1 |
2763 | | SS matrix | | | H | S | O |
2764 | | ---|---|---|--- |
2765 | | H | 6 | -9 | -6 |
2766 | | S | | 6 | -6 |
2767 | | O | | | 4 |
2768 | | Iteration cutoff | 2 |
2769 | | |
2770 | | Matchmaker MolBC_WT_final_structure_chains_renamed.pdb, chain C (#3) with |
2771 | | MolBC_chains_renamed.pdb, chain B (#1), sequence alignment score = 195.5 |
2772 | | RMSD between 40 pruned atom pairs is 0.574 angstroms; (across all 40 pairs: |
2773 | | 0.574) |
2774 | | |
2775 | | |
2776 | | > matchmaker #1/B:147-186 to #3/B:149-186 |
2777 | | |
2778 | | Parameters |
2779 | | --- |
2780 | | Chain pairing | bb |
2781 | | Alignment algorithm | Needleman-Wunsch |
2782 | | Similarity matrix | BLOSUM-62 |
2783 | | SS fraction | 0.3 |
2784 | | Gap open (HH/SS/other) | 18/18/6 |
2785 | | Gap extend | 1 |
2786 | | SS matrix | | | H | S | O |
2787 | | ---|---|---|--- |
2788 | | H | 6 | -9 | -6 |
2789 | | S | | 6 | -6 |
2790 | | O | | | 4 |
2791 | | Iteration cutoff | 2 |
2792 | | |
2793 | | Matchmaker MolBC_WT_final_structure_chains_renamed.pdb, chain B (#3) with |
2794 | | MolBC_chains_renamed.pdb, chain B (#1), sequence alignment score = 189.9 |
2795 | | RMSD between 38 pruned atom pairs is 0.500 angstroms; (across all 38 pairs: |
2796 | | 0.500) |
2797 | | |
2798 | | |
2799 | | > ui mousemode right "translate selected models" |
2800 | | |
2801 | | > select #1/D,E |
2802 | | |
2803 | | 4340 atoms, 4040 bonds, 1 pseudobond, 877 residues, 2 models selected |
2804 | | |
2805 | | > cartoon hide (#!1 & sel) |
2806 | | |
2807 | | > select #3/D,E |
2808 | | |
2809 | | 3862 atoms, 3935 bonds, 4 pseudobonds, 486 residues, 2 models selected |
2810 | | |
2811 | | > cartoon hide (#!3 & sel) |
2812 | | |
2813 | | > select add #3 |
2814 | | |
2815 | | 8419 atoms, 8591 bonds, 20 pseudobonds, 1084 residues, 3 models selected |
2816 | | |
2817 | | > select subtract #3 |
2818 | | |
2819 | | Nothing selected |
2820 | | |
2821 | | > select #1/B |
2822 | | |
2823 | | 2489 atoms, 2398 bonds, 2 pseudobonds, 450 residues, 2 models selected |
2824 | | |
2825 | | > ~select |
2826 | | |
2827 | | Nothing selected |
2828 | | |
2829 | | > ui mousemode right zoom |
2830 | | |
2831 | | > hide #!3 models |
2832 | | |
2833 | | > show #!3 models |
2834 | | |
2835 | | > hide #!1 models |
2836 | | |
2837 | | > distance #3/B:172@ca #3/C:172@ca |
2838 | | |
2839 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B SER 172 CA |
2840 | | and /C SER 172 CA: 18.960Å |
2841 | | |
2842 | | > show #!4 models |
2843 | | |
2844 | | > show #4.1 models |
2845 | | |
2846 | | > show #!1 models |
2847 | | |
2848 | | > hide #!4 models |
2849 | | |
2850 | | > hide #4.1 models |
2851 | | |
2852 | | > cartoon #1,3 |
2853 | | |
2854 | | > ui mousemode right "translate selected models" |
2855 | | |
2856 | | > ui mousemode right zoom |
2857 | | |
2858 | | > ui mousemode right "translate selected models" |
2859 | | |
2860 | | > ui mousemode right "rotate selected models" |
2861 | | |
2862 | | > ui mousemode right "translate selected models" |
2863 | | |
2864 | | > ui mousemode right "rotate selected models" |
2865 | | |
2866 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
2867 | | |
2868 | | > movie record |
2869 | | |
2870 | | > turn y 2 180 |
2871 | | |
2872 | | > wait 180 |
2873 | | |
2874 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie1.mp4 |
2875 | | |
2876 | | Movie saved to /Users/alexandrakaragiaridi/Desktop/movie1.mp4 |
2877 | | |
2878 | | |
2879 | | > hide #!1 models |
2880 | | |
2881 | | > show #!4 models |
2882 | | |
2883 | | > show #4.1 models |
2884 | | |
2885 | | > select #3/C:146 |
2886 | | |
2887 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
2888 | | |
2889 | | > select #3/C:7-146 |
2890 | | |
2891 | | 840 atoms, 857 bonds, 2 pseudobonds, 112 residues, 2 models selected |
2892 | | |
2893 | | > cartoon hide (#!3 & sel) |
2894 | | |
2895 | | > select #3/C:172 |
2896 | | |
2897 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
2898 | | |
2899 | | > select #3/C:172-328 |
2900 | | |
2901 | | 1204 atoms, 1232 bonds, 157 residues, 1 model selected |
2902 | | |
2903 | | > cartoon hide sel |
2904 | | |
2905 | | > select #3/B:328 |
2906 | | |
2907 | | 12 atoms, 12 bonds, 1 residue, 1 model selected |
2908 | | |
2909 | | > select #3/B:172-328 |
2910 | | |
2911 | | 1204 atoms, 1232 bonds, 157 residues, 1 model selected |
2912 | | |
2913 | | > cartoon hide sel |
2914 | | |
2915 | | > select #3/B:148 |
2916 | | |
2917 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
2918 | | |
2919 | | > select #3/B:6-148 |
2920 | | |
2921 | | 945 atoms, 965 bonds, 2 pseudobonds, 124 residues, 2 models selected |
2922 | | |
2923 | | > cartoon hide (#!3 & sel) |
2924 | | |
2925 | | > select #3/D,E |
2926 | | |
2927 | | 3862 atoms, 3935 bonds, 4 pseudobonds, 486 residues, 2 models selected |
2928 | | |
2929 | | > cartoon hide (#!3 & sel) |
2930 | | |
2931 | | > select add #3 |
2932 | | |
2933 | | 8419 atoms, 8591 bonds, 21 pseudobonds, 1084 residues, 3 models selected |
2934 | | |
2935 | | > select subtract #3 |
2936 | | |
2937 | | Nothing selected |
2938 | | |
2939 | | > ui mousemode right "translate selected models" |
2940 | | |
2941 | | > ui mousemode right zoom |
2942 | | |
2943 | | > ui mousemode right "translate selected models" |
2944 | | |
2945 | | > ui mousemode right zoom |
2946 | | |
2947 | | > save /Users/alexandrakaragiaridi/Desktop/image2.png supersample 3 |
2948 | | |
2949 | | > hide #!4 models |
2950 | | |
2951 | | > hide #4.1 models |
2952 | | |
2953 | | > hide #!3 models |
2954 | | |
2955 | | > show #!1 models |
2956 | | |
2957 | | > select #1/C:329-330 |
2958 | | |
2959 | | 17 atoms, 16 bonds, 2 residues, 1 model selected |
2960 | | |
2961 | | > select #1/C:171-330 |
2962 | | |
2963 | | 1229 atoms, 1257 bonds, 160 residues, 1 model selected |
2964 | | |
2965 | | > cartoon hide sel |
2966 | | |
2967 | | > select #1/C:147 |
2968 | | |
2969 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
2970 | | |
2971 | | > select #1/C:5-147 |
2972 | | |
2973 | | 855 atoms, 871 bonds, 2 pseudobonds, 117 residues, 2 models selected |
2974 | | |
2975 | | > cartoon hide (#!1 & sel) |
2976 | | |
2977 | | > select #1/B:330 |
2978 | | |
2979 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
2980 | | |
2981 | | > select #1/B:171-330 |
2982 | | |
2983 | | 1229 atoms, 1257 bonds, 160 residues, 1 model selected |
2984 | | |
2985 | | > cartoon hide sel |
2986 | | |
2987 | | > select #1/B:146 |
2988 | | |
2989 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
2990 | | |
2991 | | > select #1/B:6-146 |
2992 | | |
2993 | | 936 atoms, 956 bonds, 2 pseudobonds, 124 residues, 2 models selected |
2994 | | |
2995 | | > cartoon hide (#!1 & sel) |
2996 | | |
2997 | | > select #1/D,E |
2998 | | |
2999 | | 4340 atoms, 4040 bonds, 1 pseudobond, 877 residues, 2 models selected |
3000 | | |
3001 | | > cartoon hide (#!1 & sel) |
3002 | | |
3003 | | > select add #1 |
3004 | | |
3005 | | 9249 atoms, 8743 bonds, 5 pseudobonds, 1789 residues, 2 models selected |
3006 | | |
3007 | | > select subtract #1 |
3008 | | |
3009 | | Nothing selected |
3010 | | |
3011 | | > show #!3 models |
3012 | | |
3013 | | > hide #!3 models |
3014 | | |
3015 | | > select #1/B |
3016 | | |
3017 | | 2489 atoms, 2398 bonds, 2 pseudobonds, 450 residues, 2 models selected |
3018 | | |
3019 | | > ~select |
3020 | | |
3021 | | Nothing selected |
3022 | | |
3023 | | > select #1/B |
3024 | | |
3025 | | 2489 atoms, 2398 bonds, 2 pseudobonds, 450 residues, 2 models selected |
3026 | | |
3027 | | > color (#!1 & sel) blue |
3028 | | |
3029 | | > select #1/C |
3030 | | |
3031 | | 2420 atoms, 2305 bonds, 2 pseudobonds, 462 residues, 2 models selected |
3032 | | |
3033 | | > color (#!1 & sel) cornflower blue |
3034 | | |
3035 | | > ~select |
3036 | | |
3037 | | Nothing selected |
3038 | | |
3039 | | > distance #1/B:171@ca #1/C:171@ca |
3040 | | |
3041 | | Distance between MolBC_chains_renamed.pdb #1/B ILE 171 CA and /C ILE 171 CA: |
3042 | | 22.605Å |
3043 | | |
3044 | | > show #!4 models |
3045 | | |
3046 | | > show #4.1 models |
3047 | | |
3048 | | > hide #4.1 models |
3049 | | |
3050 | | > hide #!4 models |
3051 | | |
3052 | | > show #!3 models |
3053 | | |
3054 | | > show #!4 models |
3055 | | |
3056 | | > show #4.1 models |
3057 | | |
3058 | | > hide #!4 models |
3059 | | |
3060 | | > hide #4.1 models |
3061 | | |
3062 | | > distance #1/B:171@ca #1/C:171@ca color black |
3063 | | |
3064 | | Distance already exists; modify distance properties with 'distance style' |
3065 | | |
3066 | | > distance #1/B:171@ca #1/C:171@ca color yellow |
3067 | | |
3068 | | Distance already exists; modify distance properties with 'distance style' |
3069 | | |
3070 | | > distance style |
3071 | | |
3072 | | > ui tool show Distances |
3073 | | |
3074 | | Exactly two atoms must be selected! |
3075 | | |
3076 | | > ~distance #1/B:171@CA #1/C:171@CA |
3077 | | |
3078 | | Exactly two atoms must be selected! |
3079 | | |
3080 | | > distance #1/B:171@ca #1/C:171@ca color yellow |
3081 | | |
3082 | | Distance between MolBC_chains_renamed.pdb #1/B ILE 171 CA and /C ILE 171 CA: |
3083 | | 22.605Å |
3084 | | |
3085 | | > show distance |
3086 | | |
3087 | | Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models', |
3088 | | 'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword |
3089 | | |
3090 | | > close #4 |
3091 | | |
3092 | | > distance #1/B:171@ca #1/C:171@ca color black |
3093 | | |
3094 | | Distance between MolBC_chains_renamed.pdb #1/B ILE 171 CA and /C ILE 171 CA: |
3095 | | 22.605Å |
3096 | | |
3097 | | > hide #!3 models |
3098 | | |
3099 | | > select add #4 |
3100 | | |
3101 | | 1 pseudobond, 2 models selected |
3102 | | |
3103 | | > select subtract #4 |
3104 | | |
3105 | | Nothing selected |
3106 | | |
3107 | | > view |
3108 | | |
3109 | | > ui tool show Distances |
3110 | | |
3111 | | Exactly two atoms must be selected! |
3112 | | |
3113 | | > select |
3114 | | > #1/C:6-26,58-60,63-86,99-112,117-137,148-170,177-185,194-214,217-222,225-230,235-256,267-275,279-304,311-327 |
3115 | | |
3116 | | 1674 atoms, 1695 bonds, 222 residues, 1 model selected |
3117 | | |
3118 | | > select #1/C:5-147 |
3119 | | |
3120 | | 855 atoms, 871 bonds, 2 pseudobonds, 117 residues, 2 models selected |
3121 | | |
3122 | | > select #1/C:171 |
3123 | | |
3124 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3125 | | |
3126 | | > select #1/C:171 |
3127 | | |
3128 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3129 | | |
3130 | | > ui mousemode right select |
3131 | | |
3132 | | > select #1/B:170 |
3133 | | |
3134 | | 12 atoms, 12 bonds, 1 residue, 1 model selected |
3135 | | |
3136 | | > select #1/B:170 |
3137 | | |
3138 | | 12 atoms, 12 bonds, 1 residue, 1 model selected |
3139 | | |
3140 | | > select #1/C:171 |
3141 | | |
3142 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3143 | | |
3144 | | > cartoon sel |
3145 | | |
3146 | | > select #1/B:171 |
3147 | | |
3148 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3149 | | |
3150 | | > select #1/B:171 |
3151 | | |
3152 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3153 | | |
3154 | | > cartoon sel |
3155 | | |
3156 | | > ~select |
3157 | | |
3158 | | Nothing selected |
3159 | | |
3160 | | > distance #1/B:169@ca #1/C:169@ca color black |
3161 | | |
3162 | | Distance between MolBC_chains_renamed.pdb #1/B GLN 169 CA and /C GLN 169 CA: |
3163 | | 14.324Å |
3164 | | |
3165 | | > distance #1/B:167@ca #1/C:167@ca color black |
3166 | | |
3167 | | Distance between MolBC_chains_renamed.pdb #1/B LEU 167 CA and /C LEU 167 CA: |
3168 | | 21.854Å |
3169 | | |
3170 | | > distance #1/B:165@ca #1/C:165@ca color black |
3171 | | |
3172 | | Distance between MolBC_chains_renamed.pdb #1/B VAL 165 CA and /C VAL 165 CA: |
3173 | | 17.548Å |
3174 | | |
3175 | | > distance #1/B:163@ca #1/C:163@ca color black |
3176 | | |
3177 | | Distance between MolBC_chains_renamed.pdb #1/B ALA 163 CA and /C ALA 163 CA: |
3178 | | 19.665Å |
3179 | | |
3180 | | > distance #1/B:161@ca #1/C:161@ca color black |
3181 | | |
3182 | | Distance between MolBC_chains_renamed.pdb #1/B PHE 161 CA and /C PHE 161 CA: |
3183 | | 22.059Å |
3184 | | |
3185 | | > distance #1/B:159@ca #1/C:159@ca color black |
3186 | | |
3187 | | Distance between MolBC_chains_renamed.pdb #1/B GLY 159 CA and /C GLY 159 CA: |
3188 | | 17.961Å |
3189 | | |
3190 | | > distance #1/B:157@ca #1/C:157@ca color black |
3191 | | |
3192 | | Distance between MolBC_chains_renamed.pdb #1/B LEU 157 CA and /C LEU 157 CA: |
3193 | | 24.684Å |
3194 | | |
3195 | | > distance #1/B:155@ca #1/C:155@ca color black |
3196 | | |
3197 | | Distance between MolBC_chains_renamed.pdb #1/B MET 155 CA and /C MET 155 CA: |
3198 | | 16.572Å |
3199 | | |
3200 | | > distance #1/B:153@ca #1/C:153@ca color black |
3201 | | |
3202 | | Distance between MolBC_chains_renamed.pdb #1/B ILE 153 CA and /C ILE 153 CA: |
3203 | | 25.521Å |
3204 | | |
3205 | | > distance #1/B:151@ca #1/C:151@ca color black |
3206 | | |
3207 | | Distance between MolBC_chains_renamed.pdb #1/B ILE 151 CA and /C ILE 151 CA: |
3208 | | 17.659Å |
3209 | | |
3210 | | > distance #1/B:149@ca #1/C:149@ca color black |
3211 | | |
3212 | | Distance between MolBC_chains_renamed.pdb #1/B MET 149 CA and /C MET 149 CA: |
3213 | | 24.266Å |
3214 | | |
3215 | | > label height 1.5 |
3216 | | |
3217 | | [Repeated 1 time(s)] |
3218 | | |
3219 | | > ui mousemode right "move label" |
3220 | | |
3221 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
3222 | | |
3223 | | > hide #!4 models |
3224 | | |
3225 | | > hide #4.1 models |
3226 | | |
3227 | | > show #!3 models |
3228 | | |
3229 | | > color #1 #929292ff |
3230 | | |
3231 | | > ui mousemode right zoom |
3232 | | |
3233 | | > cartoon #1,3 |
3234 | | |
3235 | | > ui mousemode right "translate selected models" |
3236 | | |
3237 | | > morph |
3238 | | |
3239 | | Missing or invalid "structures" argument: empty atom specifier |
3240 | | |
3241 | | > morph #3,1 frames 40 |
3242 | | |
3243 | | Computed 41 frame morph #5 |
3244 | | |
3245 | | > coordset #5 1,41 |
3246 | | |
3247 | | > morph #3,1 frames 60 |
3248 | | |
3249 | | Computed 61 frame morph #6 |
3250 | | |
3251 | | > coordset #6 1,61 |
3252 | | |
3253 | | > hide #!5 models |
3254 | | |
3255 | | > movie record |
3256 | | |
3257 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie.mp4 framerate 25.0 |
3258 | | |
3259 | | Movie saved to /Users/alexandrakaragiaridi/Desktop/movie.mp4 |
3260 | | |
3261 | | |
3262 | | > close #5 |
3263 | | |
3264 | | > hide #!6 models |
3265 | | |
3266 | | > hide #4.1 models |
3267 | | |
3268 | | > show #!1 models |
3269 | | |
3270 | | > show #!3 models |
3271 | | |
3272 | | > matchmaker #1/D to #3/D |
3273 | | |
3274 | | Parameters |
3275 | | --- |
3276 | | Chain pairing | bb |
3277 | | Alignment algorithm | Needleman-Wunsch |
3278 | | Similarity matrix | BLOSUM-62 |
3279 | | SS fraction | 0.3 |
3280 | | Gap open (HH/SS/other) | 18/18/6 |
3281 | | Gap extend | 1 |
3282 | | SS matrix | | | H | S | O |
3283 | | ---|---|---|--- |
3284 | | H | 6 | -9 | -6 |
3285 | | S | | 6 | -6 |
3286 | | O | | | 4 |
3287 | | Iteration cutoff | 2 |
3288 | | |
3289 | | Matchmaker MolBC_WT_final_structure_chains_renamed.pdb, chain D (#3) with |
3290 | | MolBC_chains_renamed.pdb, chain D (#1), sequence alignment score = 1119.7 |
3291 | | RMSD between 236 pruned atom pairs is 0.864 angstroms; (across all 238 pairs: |
3292 | | 1.082) |
3293 | | |
3294 | | |
3295 | | > select #1/B |
3296 | | |
3297 | | 2489 atoms, 2398 bonds, 2 pseudobonds, 450 residues, 2 models selected |
3298 | | |
3299 | | > ~select |
3300 | | |
3301 | | Nothing selected |
3302 | | |
3303 | | > save /Users/alexandrakaragiaridi/Desktop/image2.png supersample 3 |
3304 | | |
3305 | | > movie record |
3306 | | |
3307 | | > turn y 2 180 |
3308 | | |
3309 | | > wait 180 |
3310 | | |
3311 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie1.mp4 |
3312 | | |
3313 | | Movie saved to /Users/alexandrakaragiaridi/Desktop/movie1.mp4 |
3314 | | |
3315 | | |
3316 | | > hide #!1 models |
3317 | | |
3318 | | > select #3/B,C |
3319 | | |
3320 | | 4557 atoms, 4656 bonds, 4 pseudobonds, 598 residues, 2 models selected |
3321 | | |
3322 | | > cartoon hide (#!3 & sel) |
3323 | | |
3324 | | > select #3/D,E |
3325 | | |
3326 | | 3862 atoms, 3935 bonds, 4 pseudobonds, 486 residues, 2 models selected |
3327 | | Alignment identifier is 3/D |
3328 | | Alignment identifier is 3/E |
3329 | | |
3330 | | > select add #3 |
3331 | | |
3332 | | 8419 atoms, 8591 bonds, 8 pseudobonds, 1084 residues, 2 models selected |
3333 | | |
3334 | | > select subtract #3 |
3335 | | |
3336 | | Nothing selected |
3337 | | |
3338 | | > ui mousemode right zoom |
3339 | | |
3340 | | > view |
3341 | | |
3342 | | > select #3/D:38-39 |
3343 | | |
3344 | | 13 atoms, 12 bonds, 2 residues, 1 model selected |
3345 | | |
3346 | | > select #3/D:38-53 |
3347 | | |
3348 | | 91 atoms, 89 bonds, 1 pseudobond, 13 residues, 2 models selected |
3349 | | |
3350 | | > ~select |
3351 | | |
3352 | | Nothing selected |
3353 | | |
3354 | | > select #3/D:45 |
3355 | | |
3356 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
3357 | | |
3358 | | > select #3/D:45 |
3359 | | |
3360 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
3361 | | |
3362 | | > ~select |
3363 | | |
3364 | | Nothing selected |
3365 | | |
3366 | | > select #3/D:129 |
3367 | | |
3368 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3369 | | |
3370 | | > select #3/D:129-133 |
3371 | | |
3372 | | 31 atoms, 30 bonds, 5 residues, 1 model selected |
3373 | | |
3374 | | > select #3/D:133 |
3375 | | |
3376 | | 9 atoms, 8 bonds, 1 residue, 1 model selected |
3377 | | |
3378 | | > select #3/D:129-133 |
3379 | | |
3380 | | 31 atoms, 30 bonds, 5 residues, 1 model selected |
3381 | | |
3382 | | > select #3/E:129 |
3383 | | |
3384 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3385 | | |
3386 | | > select #3/E:129-133 |
3387 | | |
3388 | | 31 atoms, 30 bonds, 5 residues, 1 model selected |
3389 | | |
3390 | | > select add #3 |
3391 | | |
3392 | | 8419 atoms, 8591 bonds, 8 pseudobonds, 1084 residues, 2 models selected |
3393 | | |
3394 | | > select subtract #3 |
3395 | | |
3396 | | Nothing selected |
3397 | | |
3398 | | > distance #3/D:45@ca #3/E:133@ca color black |
3399 | | |
3400 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/D SER 45 CA |
3401 | | and /E GLN 133 CA: 23.027Å |
3402 | | |
3403 | | > show #4.1 models |
3404 | | |
3405 | | > label height 1.5 |
3406 | | |
3407 | | > label height 2 |
3408 | | |
3409 | | > label height 4 |
3410 | | |
3411 | | > label height 3 |
3412 | | |
3413 | | [Repeated 1 time(s)] |
3414 | | |
3415 | | > ui mousemode right "move label" |
3416 | | |
3417 | | > select #3/D:45 |
3418 | | |
3419 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
3420 | | |
3421 | | > color sel black |
3422 | | |
3423 | | > select #3/e:133 |
3424 | | |
3425 | | 9 atoms, 8 bonds, 1 residue, 1 model selected |
3426 | | |
3427 | | > color sel black |
3428 | | |
3429 | | > ui mousemode right zoom |
3430 | | |
3431 | | > select add #3 |
3432 | | |
3433 | | 8419 atoms, 8591 bonds, 9 pseudobonds, 1084 residues, 3 models selected |
3434 | | |
3435 | | > select subtract #3 |
3436 | | |
3437 | | Nothing selected |
3438 | | |
3439 | | > ui mousemode right "move label" |
3440 | | |
3441 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
3442 | | |
3443 | | > hide #!3 models |
3444 | | |
3445 | | > show #!1 models |
3446 | | |
3447 | | > hide #!4 models |
3448 | | |
3449 | | > hide #4.1 models |
3450 | | |
3451 | | > select #1/B,C |
3452 | | |
3453 | | 4909 atoms, 4703 bonds, 16 pseudobonds, 912 residues, 3 models selected |
3454 | | |
3455 | | > cartoon hide (#!1 & sel) |
3456 | | |
3457 | | > select #1/d |
3458 | | |
3459 | | 2165 atoms, 2035 bonds, 421 residues, 1 model selected |
3460 | | |
3461 | | > color sel purple |
3462 | | |
3463 | | > select #1/e |
3464 | | |
3465 | | 2175 atoms, 2005 bonds, 1 pseudobond, 456 residues, 2 models selected |
3466 | | |
3467 | | > ui tool show "Color Actions" |
3468 | | |
3469 | | > color sel violet |
3470 | | |
3471 | | > ~select |
3472 | | |
3473 | | Nothing selected |
3474 | | |
3475 | | > distance #1/D:45@ca #1/E:133@ca color black |
3476 | | |
3477 | | Distance between MolBC_chains_renamed.pdb #1/D SER 45 CA and /E GLN 133 CA: |
3478 | | 22.019Å |
3479 | | |
3480 | | > show #!4 models |
3481 | | |
3482 | | > show #4.1 models |
3483 | | |
3484 | | > label height 3 |
3485 | | |
3486 | | [Repeated 1 time(s)] |
3487 | | |
3488 | | > select #1/e:133 |
3489 | | |
3490 | | 9 atoms, 8 bonds, 1 residue, 1 model selected |
3491 | | |
3492 | | > color sel black |
3493 | | |
3494 | | > select #1/d:45 |
3495 | | |
3496 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
3497 | | |
3498 | | > color sel black |
3499 | | |
3500 | | > ~select |
3501 | | |
3502 | | Nothing selected |
3503 | | |
3504 | | > save /Users/alexandrakaragiaridi/Desktop/image2.png supersample 3 |
3505 | | |
3506 | | > hide #4.1 models |
3507 | | |
3508 | | > hide #!4 models |
3509 | | |
3510 | | > color #1 #929292ff |
3511 | | |
3512 | | > hide #!1 models |
3513 | | |
3514 | | > show #!3 models |
3515 | | |
3516 | | > cartoon #3 |
3517 | | |
3518 | | > ui mousemode right zoom |
3519 | | |
3520 | | > ui mousemode right "translate selected models" |
3521 | | |
3522 | | > select #3/d |
3523 | | |
3524 | | 1885 atoms, 1919 bonds, 3 pseudobonds, 238 residues, 2 models selected |
3525 | | |
3526 | | > color (#!3 & sel) purple |
3527 | | |
3528 | | > select #3/e |
3529 | | |
3530 | | 1977 atoms, 2016 bonds, 1 pseudobond, 248 residues, 2 models selected |
3531 | | |
3532 | | > ui tool show "Color Actions" |
3533 | | |
3534 | | > color sel violet |
3535 | | |
3536 | | > ~select |
3537 | | |
3538 | | Nothing selected |
3539 | | |
3540 | | > select #3 |
3541 | | |
3542 | | 8419 atoms, 8591 bonds, 9 pseudobonds, 1084 residues, 3 models selected |
3543 | | |
3544 | | > show sel surfaces |
3545 | | |
3546 | | > hide sel cartoons |
3547 | | |
3548 | | > select add #4 |
3549 | | |
3550 | | 8419 atoms, 8591 bonds, 22 pseudobonds, 1084 residues, 8 models selected |
3551 | | |
3552 | | > select subtract #4 |
3553 | | |
3554 | | 8419 atoms, 8591 bonds, 8 pseudobonds, 1084 residues, 6 models selected |
3555 | | |
3556 | | > ~select |
3557 | | |
3558 | | Nothing selected |
3559 | | |
3560 | | > ui mousemode right zoom |
3561 | | |
3562 | | > ui tool show "Side View" |
3563 | | |
3564 | | > hide #!3 models |
3565 | | |
3566 | | > show #!1 models |
3567 | | |
3568 | | > cartoon #1 |
3569 | | |
3570 | | > select #1/B |
3571 | | |
3572 | | 2489 atoms, 2398 bonds, 2 pseudobonds, 450 residues, 2 models selected |
3573 | | |
3574 | | > color (#!1 & sel) blue |
3575 | | |
3576 | | > select #1/c |
3577 | | |
3578 | | 2420 atoms, 2305 bonds, 2 pseudobonds, 462 residues, 2 models selected |
3579 | | |
3580 | | > color (#!1 & sel) cornflower blue |
3581 | | |
3582 | | > select #1/d |
3583 | | |
3584 | | 2165 atoms, 2035 bonds, 421 residues, 1 model selected |
3585 | | |
3586 | | > color sel purple |
3587 | | |
3588 | | > select #1/e |
3589 | | |
3590 | | 2175 atoms, 2005 bonds, 1 pseudobond, 456 residues, 2 models selected |
3591 | | |
3592 | | > ui tool show "Color Actions" |
3593 | | |
3594 | | > color sel violet |
3595 | | |
3596 | | > select #1 |
3597 | | |
3598 | | 9249 atoms, 8743 bonds, 18 pseudobonds, 1789 residues, 3 models selected |
3599 | | |
3600 | | > show sel surfaces |
3601 | | |
3602 | | > hide sel cartoons |
3603 | | |
3604 | | > ~select |
3605 | | |
3606 | | Nothing selected |
3607 | | |
3608 | | > hide #!1 models |
3609 | | |
3610 | | > show #!3 models |
3611 | | |
3612 | | > transparency #3 50 |
3613 | | |
3614 | | > transparency #3 70 |
3615 | | |
3616 | | > select #3/B,C |
3617 | | |
3618 | | 4557 atoms, 4656 bonds, 4 pseudobonds, 598 residues, 2 models selected |
3619 | | Alignment identifier is 3/B |
3620 | | Alignment identifier is 3/C |
3621 | | |
3622 | | > ~select |
3623 | | |
3624 | | Nothing selected |
3625 | | |
3626 | | > select #3/B:149 |
3627 | | |
3628 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3629 | | |
3630 | | > select #3/B:149-171 |
3631 | | |
3632 | | 174 atoms, 175 bonds, 23 residues, 1 model selected |
3633 | | |
3634 | | > show sel cartoons |
3635 | | |
3636 | | > select #3/C:147 |
3637 | | |
3638 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3639 | | |
3640 | | > select #3/C:147-171 |
3641 | | |
3642 | | 190 atoms, 191 bonds, 25 residues, 1 model selected |
3643 | | |
3644 | | > show sel cartoons |
3645 | | |
3646 | | > ~select |
3647 | | |
3648 | | Nothing selected |
3649 | | |
3650 | | > distance #3/B:171@ca #3/C:171@ca color black |
3651 | | |
3652 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B ILE 171 CA |
3653 | | and /C ILE 171 CA: 23.254Å |
3654 | | |
3655 | | > show #!4 models |
3656 | | |
3657 | | > show #4.1 models |
3658 | | |
3659 | | > distance #3/B:169@ca #3/C:169@ca color black |
3660 | | |
3661 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B GLN 169 CA |
3662 | | and /C GLN 169 CA: 15.005Å |
3663 | | |
3664 | | > distance #3/B:167@ca #3/C:167@ca color black |
3665 | | |
3666 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B LEU 167 CA |
3667 | | and /C LEU 167 CA: 22.657Å |
3668 | | |
3669 | | > distance #3/B:165@ca #3/C:165@ca color black |
3670 | | |
3671 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B VAL 165 CA |
3672 | | and /C VAL 165 CA: 18.432Å |
3673 | | |
3674 | | > distance #3/B:163@ca #3/C:163@ca color black |
3675 | | |
3676 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B ALA 163 CA |
3677 | | and /C ALA 163 CA: 20.352Å |
3678 | | |
3679 | | > distance #3/B:161@ca #3/C:161@ca color black |
3680 | | |
3681 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B PHE 161 CA |
3682 | | and /C PHE 161 CA: 22.692Å |
3683 | | |
3684 | | > distance #3/B:159@ca #3/C:159@ca color black |
3685 | | |
3686 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B GLY 159 CA |
3687 | | and /C GLY 159 CA: 18.050Å |
3688 | | |
3689 | | > distance #3/B:157@ca #3/C:157@ca color black |
3690 | | |
3691 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B LEU 157 CA |
3692 | | and /C LEU 157 CA: 25.168Å |
3693 | | |
3694 | | > distance #3/B:155@ca #3/C:155@ca color black |
3695 | | |
3696 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B MET 155 CA |
3697 | | and /C MET 155 CA: 16.815Å |
3698 | | |
3699 | | > distance #3/B:153@ca #3/C:153@ca color black |
3700 | | |
3701 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B ILE 153 CA |
3702 | | and /C ILE 153 CA: 26.245Å |
3703 | | |
3704 | | > distance #3/B:151@ca #3/C:151@ca color black |
3705 | | |
3706 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B ILE 151 CA |
3707 | | and /C ILE 151 CA: 18.493Å |
3708 | | |
3709 | | > distance #3/B:149@ca #3/C:149@ca color black |
3710 | | |
3711 | | Distance between MolBC_WT_final_structure_chains_renamed.pdb #3/B MET 149 CA |
3712 | | and /C MET 149 CA: 25.488Å |
3713 | | |
3714 | | > label height 3 |
3715 | | |
3716 | | > label height 1.5 |
3717 | | |
3718 | | [Repeated 1 time(s)] |
3719 | | |
3720 | | > transparency #3-4 0 |
3721 | | |
3722 | | > transparency #3-4 60 |
3723 | | |
3724 | | > label height 2.5 |
3725 | | |
3726 | | > label height 2 |
3727 | | |
3728 | | > ui mousemode right label |
3729 | | |
3730 | | [Repeated 1 time(s)] |
3731 | | |
3732 | | > ui mousemode right zoom |
3733 | | |
3734 | | > ui mousemode right "move label" |
3735 | | |
3736 | | > ui tool show Distances |
3737 | | |
3738 | | [Repeated 1 time(s)] |
3739 | | |
3740 | | > distance style symbol false |
3741 | | |
3742 | | [Repeated 2 time(s)] |
3743 | | |
3744 | | > distance style symbol true |
3745 | | |
3746 | | [Repeated 2 time(s)] |
3747 | | |
3748 | | > select add #4 |
3749 | | |
3750 | | 26 pseudobonds, 2 models selected |
3751 | | |
3752 | | > select subtract #4 |
3753 | | |
3754 | | Nothing selected |
3755 | | |
3756 | | > select add #4.1 |
3757 | | |
3758 | | 1 model selected |
3759 | | |
3760 | | > select add #4 |
3761 | | |
3762 | | 26 pseudobonds, 2 models selected |
3763 | | |
3764 | | > select subtract #4 |
3765 | | |
3766 | | Nothing selected |
3767 | | |
3768 | | > ui mousemode right select |
3769 | | |
3770 | | > select #3/D:246@CD |
3771 | | |
3772 | | 1 atom, 1 residue, 1 model selected |
3773 | | |
3774 | | > select #3/D:246@CD |
3775 | | |
3776 | | 1 atom, 1 residue, 1 model selected |
3777 | | |
3778 | | > ~select |
3779 | | |
3780 | | Nothing selected |
3781 | | |
3782 | | > ui tool show Distances |
3783 | | |
3784 | | > ~distance #3/B:149@CA #3/C:149@CA |
3785 | | |
3786 | | > ui mousemode right "move label" |
3787 | | |
3788 | | > ~distance #3/B:151@CA #3/C:151@CA |
3789 | | |
3790 | | > ~distance #3/B:153@CA #3/C:153@CA |
3791 | | |
3792 | | > ~distance #3/B:155@CA #3/C:155@CA |
3793 | | |
3794 | | > ~distance #3/B:157@CA #3/C:157@CA |
3795 | | |
3796 | | > ~distance #3/B:159@CA #3/C:159@CA |
3797 | | |
3798 | | > ~distance #3/B:161@CA #3/C:161@CA |
3799 | | |
3800 | | > ~distance #3/B:163@CA #3/C:163@CA |
3801 | | |
3802 | | > ~distance #3/B:165@CA #3/C:165@CA |
3803 | | |
3804 | | > ~distance #3/B:167@CA #3/C:167@CA |
3805 | | |
3806 | | > ~distance #3/B:169@CA #3/C:169@CA |
3807 | | |
3808 | | > ~distance #3/B:171@CA #3/C:171@CA |
3809 | | |
3810 | | > ui mousemode right "translate selected models" |
3811 | | |
3812 | | > ui mousemode right zoom |
3813 | | |
3814 | | > hide #!3 models |
3815 | | |
3816 | | > show #!1 models |
3817 | | |
3818 | | > transparency #1,4 60 |
3819 | | |
3820 | | > select #1/b,c |
3821 | | |
3822 | | 4909 atoms, 4703 bonds, 16 pseudobonds, 912 residues, 3 models selected |
3823 | | Alignment identifier is 1/B |
3824 | | Alignment identifier is 1/C |
3825 | | |
3826 | | > ~select |
3827 | | |
3828 | | Nothing selected |
3829 | | |
3830 | | > select #1/B:147-148 |
3831 | | |
3832 | | 16 atoms, 15 bonds, 2 residues, 1 model selected |
3833 | | |
3834 | | > select #1/B:147-170 |
3835 | | |
3836 | | 182 atoms, 183 bonds, 24 residues, 1 model selected |
3837 | | |
3838 | | > show sel cartoons |
3839 | | |
3840 | | > select #1/C:148 |
3841 | | |
3842 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3843 | | |
3844 | | > select #1/C:148-170 |
3845 | | |
3846 | | 174 atoms, 175 bonds, 23 residues, 1 model selected |
3847 | | |
3848 | | > show sel cartoons |
3849 | | |
3850 | | > ~select |
3851 | | |
3852 | | Nothing selected |
3853 | | |
3854 | | > ui mousemode right "move label" |
3855 | | |
3856 | | > color #4 black models |
3857 | | |
3858 | | > ui tool show Distances |
3859 | | |
3860 | | > ~distance #1/B:149@CA #1/C:149@CA |
3861 | | |
3862 | | > distance #1/B:149@ca #1/C:149@ca color black |
3863 | | |
3864 | | Distance between MolBC_chains_renamed.pdb #1/B MET 149 CA and /C MET 149 CA: |
3865 | | 24.266Å |
3866 | | |
3867 | | > label height 2 |
3868 | | |
3869 | | > ~distance #1/B:149@CA #1/C:149@CA |
3870 | | |
3871 | | > ~distance #1/B:151@CA #1/C:151@CA |
3872 | | |
3873 | | > ~distance #1/B:153@CA #1/C:153@CA |
3874 | | |
3875 | | > ~distance #1/B:155@CA #1/C:155@CA |
3876 | | |
3877 | | > ~distance #1/B:157@CA #1/C:157@CA |
3878 | | |
3879 | | > ~distance #1/B:159@CA #1/C:159@CA |
3880 | | |
3881 | | > ~distance #1/B:161@CA #1/C:161@CA |
3882 | | |
3883 | | > ~distance #1/B:163@CA #1/C:163@CA |
3884 | | |
3885 | | > ~distance #1/B:165@CA #1/C:165@CA |
3886 | | |
3887 | | > ~distance #1/B:167@CA #1/C:167@CA |
3888 | | |
3889 | | > ~distance #1/B:169@CA #1/C:169@CA |
3890 | | |
3891 | | > select #1/b,c |
3892 | | |
3893 | | 4909 atoms, 4703 bonds, 5 pseudobonds, 912 residues, 3 models selected |
3894 | | Alignment identifier is 1/B |
3895 | | Alignment identifier is 1/C |
3896 | | |
3897 | | > ~select |
3898 | | |
3899 | | Nothing selected |
3900 | | |
3901 | | > select #1/B:171 |
3902 | | |
3903 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3904 | | |
3905 | | > select #1/B:171 |
3906 | | |
3907 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3908 | | |
3909 | | > show sel cartoons |
3910 | | |
3911 | | > select #1/C:171 |
3912 | | |
3913 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3914 | | |
3915 | | > select #1/C:171 |
3916 | | |
3917 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
3918 | | |
3919 | | > show sel cartoons |
3920 | | |
3921 | | > ~select |
3922 | | |
3923 | | Nothing selected |
3924 | | |
3925 | | > ~distance #1/B:171@CA #1/C:171@CA |
3926 | | |
3927 | | > hide #!1 models |
3928 | | |
3929 | | > hide #!4 models |
3930 | | |
3931 | | > hide #4.1 models |
3932 | | |
3933 | | > open |
3934 | | > /Users/alexandrakaragiaridi/Desktop/MolBC_WT_cryo_EM_structure/MolBC_WT_in_C5_chains_renamed.pdb |
3935 | | |
3936 | | Chain information for MolBC_WT_in_C5_chains_renamed.pdb #5 |
3937 | | --- |
3938 | | Chain | Description |
3939 | | B | No description available |
3940 | | C | No description available |
3941 | | D | No description available |
3942 | | E | No description available |
3943 | | |
3944 | | |
3945 | | > view |
3946 | | |
3947 | | > select add #5 |
3948 | | |
3949 | | 8692 atoms, 8874 bonds, 4 pseudobonds, 1116 residues, 2 models selected |
3950 | | |
3951 | | > ui mousemode right "rotate selected models" |
3952 | | |
3953 | | > view matrix models |
3954 | | > #5,0.79745,-0.20301,0.56821,-3.4231,-0.56888,-0.56685,0.59586,7.3685,0.20113,-0.79841,-0.56752,20.438 |
3955 | | |
3956 | | > ui mousemode right zoom |
3957 | | |
3958 | | > select #5/B |
3959 | | |
3960 | | 2354 atoms, 2405 bonds, 2 pseudobonds, 309 residues, 2 models selected |
3961 | | |
3962 | | > color (#!5 & sel) blue |
3963 | | |
3964 | | > select #5/c |
3965 | | |
3966 | | 2304 atoms, 2353 bonds, 2 pseudobonds, 303 residues, 2 models selected |
3967 | | |
3968 | | > color (#!5 & sel) cornflower blue |
3969 | | |
3970 | | > select #5/d |
3971 | | |
3972 | | 1996 atoms, 2036 bonds, 251 residues, 1 model selected |
3973 | | |
3974 | | > color sel purple |
3975 | | |
3976 | | > select #5/e |
3977 | | |
3978 | | 2004 atoms, 2044 bonds, 252 residues, 1 model selected |
3979 | | |
3980 | | > ui tool show "Color Actions" |
3981 | | |
3982 | | > color sel violet |
3983 | | |
3984 | | > select add #5 |
3985 | | |
3986 | | 8692 atoms, 8874 bonds, 4 pseudobonds, 1116 residues, 2 models selected |
3987 | | |
3988 | | > select subtract #5 |
3989 | | |
3990 | | Nothing selected |
3991 | | |
3992 | | > select #5/b,c |
3993 | | |
3994 | | 4658 atoms, 4758 bonds, 4 pseudobonds, 612 residues, 2 models selected |
3995 | | Alignment identifier is 5/B |
3996 | | Alignment identifier is 5/C |
3997 | | |
3998 | | > ~select |
3999 | | |
4000 | | Nothing selected |
4001 | | |
4002 | | > select #5/B:146 |
4003 | | |
4004 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4005 | | |
4006 | | > select #5/B:4-146 |
4007 | | |
4008 | | 942 atoms, 962 bonds, 2 pseudobonds, 125 residues, 2 models selected |
4009 | | |
4010 | | > cartoon hide (#!5 & sel) |
4011 | | |
4012 | | > select #5/B:172 |
4013 | | |
4014 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4015 | | |
4016 | | > select #5/B:172-330 |
4017 | | |
4018 | | 1222 atoms, 1250 bonds, 159 residues, 1 model selected |
4019 | | |
4020 | | > cartoon hide sel |
4021 | | |
4022 | | > select #5/C:146 |
4023 | | |
4024 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4025 | | |
4026 | | > select #5/C:5-146 |
4027 | | |
4028 | | 892 atoms, 910 bonds, 2 pseudobonds, 119 residues, 2 models selected |
4029 | | |
4030 | | > cartoon hide (#!5 & sel) |
4031 | | |
4032 | | > select #5/C:172 |
4033 | | |
4034 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4035 | | |
4036 | | > select #5/C:172-330 |
4037 | | |
4038 | | 1222 atoms, 1250 bonds, 159 residues, 1 model selected |
4039 | | |
4040 | | > cartoon hide sel |
4041 | | |
4042 | | > hide sel atoms |
4043 | | |
4044 | | > select #5/d,e |
4045 | | |
4046 | | 4000 atoms, 4080 bonds, 503 residues, 1 model selected |
4047 | | |
4048 | | > cartoon hide sel |
4049 | | |
4050 | | > ui mousemode right select |
4051 | | |
4052 | | > select clear |
4053 | | |
4054 | | Drag select of 34 atoms, 36 bonds |
4055 | | |
4056 | | > hide sel atoms |
4057 | | |
4058 | | > select add #5 |
4059 | | |
4060 | | 8692 atoms, 8874 bonds, 4 pseudobonds, 1116 residues, 2 models selected |
4061 | | |
4062 | | > select subtract #5 |
4063 | | |
4064 | | Nothing selected |
4065 | | |
4066 | | > select add #5 |
4067 | | |
4068 | | 8692 atoms, 8874 bonds, 4 pseudobonds, 1116 residues, 2 models selected |
4069 | | |
4070 | | > select subtract #5 |
4071 | | |
4072 | | Nothing selected |
4073 | | |
4074 | | > ui mousemode right "translate selected models" |
4075 | | |
4076 | | > ui mousemode right zoom |
4077 | | |
4078 | | > ui mousemode right "translate selected models" |
4079 | | |
4080 | | > distance #5/B:149@ca #5/C:149@ca color black |
4081 | | |
4082 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B MET 149 CA and /C MET |
4083 | | 149 CA: 24.861Å |
4084 | | |
4085 | | > show #!4 models |
4086 | | |
4087 | | > show #4.1 models |
4088 | | |
4089 | | > distance #5/B:151@ca #5/C:151@ca color black |
4090 | | |
4091 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B ILE 151 CA and /C ILE |
4092 | | 151 CA: 18.415Å |
4093 | | |
4094 | | > distance #5/B:153@ca #5/C:153@ca color black |
4095 | | |
4096 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B ILE 153 CA and /C ILE |
4097 | | 153 CA: 25.604Å |
4098 | | |
4099 | | > distance #5/B:155@ca #5/C:155@ca color black |
4100 | | |
4101 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B MET 155 CA and /C MET |
4102 | | 155 CA: 16.498Å |
4103 | | |
4104 | | > distance #5/B:157@ca #5/C:157@ca color black |
4105 | | |
4106 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B LEU 157 CA and /C LEU |
4107 | | 157 CA: 24.517Å |
4108 | | |
4109 | | > distance #5/B:159@ca #5/C:159@ca color black |
4110 | | |
4111 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B GLY 159 CA and /C GLY |
4112 | | 159 CA: 17.616Å |
4113 | | |
4114 | | > distance #5/B:161@ca #5/C:161@ca color black |
4115 | | |
4116 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B PHE 161 CA and /C PHE |
4117 | | 161 CA: 21.963Å |
4118 | | |
4119 | | > distance #5/B:163@ca #5/C:163@ca color black |
4120 | | |
4121 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B ALA 163 CA and /C ALA |
4122 | | 163 CA: 19.560Å |
4123 | | |
4124 | | > distance #5/B:165@ca #5/C:165@ca color black |
4125 | | |
4126 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B VAL 165 CA and /C VAL |
4127 | | 165 CA: 17.433Å |
4128 | | |
4129 | | > distance #5/B:167@ca #5/C:167@ca color black |
4130 | | |
4131 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B LEU 167 CA and /C LEU |
4132 | | 167 CA: 21.738Å |
4133 | | |
4134 | | > distance #5/B:169@ca #5/C:169@ca color black |
4135 | | |
4136 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B GLN 169 CA and /C GLN |
4137 | | 169 CA: 13.848Å |
4138 | | |
4139 | | > distance #5/B:171@ca #5/C:171@ca color black |
4140 | | |
4141 | | Distance between MolBC_WT_in_C5_chains_renamed.pdb #5/B ILE 171 CA and /C ILE |
4142 | | 171 CA: 22.420Å |
4143 | | |
4144 | | > label height 2 |
4145 | | |
4146 | | > label height 1.5 |
4147 | | |
4148 | | [Repeated 1 time(s)] |
4149 | | |
4150 | | > ui mousemode right "move label" |
4151 | | |
4152 | | > ui mousemode right zoom |
4153 | | |
4154 | | > ui mousemode right "translate selected models" |
4155 | | |
4156 | | > ui mousemode right zoom |
4157 | | |
4158 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
4159 | | |
4160 | | > hide #!4 models |
4161 | | |
4162 | | > show #!4 models |
4163 | | |
4164 | | > surface #4-5 |
4165 | | |
4166 | | > transparency #4-5 60 |
4167 | | |
4168 | | > ui mousemode right "translate selected models" |
4169 | | |
4170 | | [Repeated 1 time(s)] |
4171 | | |
4172 | | > view |
4173 | | |
4174 | | > ui mousemode right "rotate selected models" |
4175 | | |
4176 | | > ui mousemode right "translate selected models" |
4177 | | |
4178 | | > ui mousemode right zoom |
4179 | | |
4180 | | > ui mousemode right "translate selected models" |
4181 | | |
4182 | | > ui mousemode right "rotate selected models" |
4183 | | |
4184 | | > ui mousemode right "translate selected models" |
4185 | | |
4186 | | > ui mousemode right "rotate selected models" |
4187 | | |
4188 | | > ui mousemode right "translate selected models" |
4189 | | |
4190 | | > ui mousemode right "rotate selected models" |
4191 | | |
4192 | | > ui mousemode right "translate selected models" |
4193 | | |
4194 | | > ui mousemode right zoom |
4195 | | |
4196 | | > label height 3 |
4197 | | |
4198 | | > label height 2.5 |
4199 | | |
4200 | | [Repeated 1 time(s)] |
4201 | | |
4202 | | > ui mousemode right "move label" |
4203 | | |
4204 | | > ~distance #5/B:149@CA #5/C:149@CA |
4205 | | |
4206 | | > ~distance #5/B:151@CA #5/C:151@CA |
4207 | | |
4208 | | > ~distance #5/B:153@CA #5/C:153@CA |
4209 | | |
4210 | | > ~distance #5/B:155@CA #5/C:155@CA |
4211 | | |
4212 | | > ~distance #5/B:157@CA #5/C:157@CA |
4213 | | |
4214 | | > ~distance #5/B:159@CA #5/C:159@CA |
4215 | | |
4216 | | > ~distance #5/B:161@CA #5/C:161@CA |
4217 | | |
4218 | | > ~distance #5/B:163@CA #5/C:163@CA |
4219 | | |
4220 | | > ~distance #5/B:165@CA #5/C:165@CA |
4221 | | |
4222 | | > ~distance #5/B:167@CA #5/C:167@CA |
4223 | | |
4224 | | > ~distance #5/B:169@CA #5/C:169@CA |
4225 | | |
4226 | | > ~distance #5/B:171@CA #5/C:171@CA |
4227 | | |
4228 | | > hide #!5 models |
4229 | | |
4230 | | > open |
4231 | | > /Users/alexandrakaragiaridi/Desktop/MolABC_no_nuc_everything/MolABC_no_nuc.pdb |
4232 | | |
4233 | | Chain information for MolABC_no_nuc.pdb #7 |
4234 | | --- |
4235 | | Chain | Description |
4236 | | A | No description available |
4237 | | B | No description available |
4238 | | C | No description available |
4239 | | D | No description available |
4240 | | E | No description available |
4241 | | |
4242 | | |
4243 | | > view |
4244 | | |
4245 | | > select #7/B:6-325 |
4246 | | |
4247 | | 2441 atoms, 2496 bonds, 320 residues, 1 model selected |
4248 | | |
4249 | | > show sel cartoons |
4250 | | |
4251 | | > hide sel atoms |
4252 | | |
4253 | | > select #7 |
4254 | | |
4255 | | 11335 atoms, 11571 bonds, 1 pseudobond, 1452 residues, 2 models selected |
4256 | | |
4257 | | > show sel cartoons |
4258 | | |
4259 | | > hide sel atoms |
4260 | | |
4261 | | > select #7/a |
4262 | | |
4263 | | 2485 atoms, 2532 bonds, 1 pseudobond, 313 residues, 2 models selected |
4264 | | |
4265 | | > color (#!7 & sel) orange |
4266 | | |
4267 | | > color (#!7 & sel) yellow |
4268 | | |
4269 | | > select #7/b |
4270 | | |
4271 | | 2441 atoms, 2496 bonds, 320 residues, 1 model selected |
4272 | | |
4273 | | > color sel blue |
4274 | | |
4275 | | > select #7/c |
4276 | | |
4277 | | 2411 atoms, 2465 bonds, 316 residues, 1 model selected |
4278 | | |
4279 | | > color sel cornflower blue |
4280 | | |
4281 | | > select #7/d |
4282 | | |
4283 | | 2003 atoms, 2043 bonds, 252 residues, 1 model selected |
4284 | | |
4285 | | > color sel purple |
4286 | | |
4287 | | > select #7/e |
4288 | | |
4289 | | 1995 atoms, 2035 bonds, 251 residues, 1 model selected |
4290 | | |
4291 | | > ui tool show "Color Actions" |
4292 | | |
4293 | | > color sel violet |
4294 | | |
4295 | | > ui mousemode right zoom |
4296 | | |
4297 | | > select add #7 |
4298 | | |
4299 | | 11335 atoms, 11571 bonds, 1 pseudobond, 1452 residues, 2 models selected |
4300 | | |
4301 | | > ~select |
4302 | | |
4303 | | Nothing selected |
4304 | | |
4305 | | > select #7/a,d,e |
4306 | | |
4307 | | 6483 atoms, 6610 bonds, 1 pseudobond, 816 residues, 2 models selected |
4308 | | |
4309 | | > cartoon hide (#!7 & sel) |
4310 | | |
4311 | | > select #7/b,c |
4312 | | |
4313 | | 4852 atoms, 4961 bonds, 636 residues, 1 model selected |
4314 | | Alignment identifier is 7/B |
4315 | | Alignment identifier is 7/C |
4316 | | |
4317 | | > ~select |
4318 | | |
4319 | | Nothing selected |
4320 | | |
4321 | | > select #7/B:62 |
4322 | | |
4323 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
4324 | | |
4325 | | > select #7/B:62-87 |
4326 | | |
4327 | | 184 atoms, 185 bonds, 26 residues, 1 model selected |
4328 | | |
4329 | | > ~select |
4330 | | |
4331 | | Nothing selected |
4332 | | |
4333 | | > select #7/B:146 |
4334 | | |
4335 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4336 | | |
4337 | | > select #7/B:6-146 |
4338 | | |
4339 | | 1074 atoms, 1099 bonds, 141 residues, 1 model selected |
4340 | | |
4341 | | > cartoon hide sel |
4342 | | |
4343 | | > select #7/B:172 |
4344 | | |
4345 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4346 | | |
4347 | | > select #7/B:172-325 |
4348 | | |
4349 | | 1177 atoms, 1204 bonds, 154 residues, 1 model selected |
4350 | | |
4351 | | > cartoon hide sel |
4352 | | |
4353 | | > select #7/C:148 |
4354 | | |
4355 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
4356 | | |
4357 | | > select #7/C:6-148 |
4358 | | |
4359 | | 1090 atoms, 1115 bonds, 143 residues, 1 model selected |
4360 | | |
4361 | | > cartoon hide sel |
4362 | | |
4363 | | > select #7/C:172 |
4364 | | |
4365 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4366 | | |
4367 | | > select #7/C:172-321 |
4368 | | |
4369 | | 1147 atoms, 1173 bonds, 150 residues, 1 model selected |
4370 | | |
4371 | | > cartoon hide sel |
4372 | | |
4373 | | > ui mousemode right "translate selected models" |
4374 | | |
4375 | | > view matrix models #7,1,0,0,-0.46625,0,1,0,0.10077,0,0,1,11.839 |
4376 | | |
4377 | | > ui mousemode right zoom |
4378 | | |
4379 | | > ui mousemode right "translate selected models" |
4380 | | |
4381 | | > view matrix models #7,1,0,0,0.78501,0,1,0,-0.25841,0,0,1,8.9345 |
4382 | | |
4383 | | > distance #7/B:171@ca #7/C:171@ca color black |
4384 | | |
4385 | | Distance between MolABC_no_nuc.pdb #7/B ILE 171 CA and /C ILE 171 CA: 23.719Å |
4386 | | |
4387 | | > distance #7/B:169@ca #7/C:169@ca color black |
4388 | | |
4389 | | Distance between MolABC_no_nuc.pdb #7/B GLN 169 CA and /C GLN 169 CA: 15.265Å |
4390 | | |
4391 | | > distance #7/B:167@ca #7/C:167@ca color black |
4392 | | |
4393 | | Distance between MolABC_no_nuc.pdb #7/B LEU 167 CA and /C LEU 167 CA: 22.879Å |
4394 | | |
4395 | | > distance #7/B:165@ca #7/C:165@ca color black |
4396 | | |
4397 | | Distance between MolABC_no_nuc.pdb #7/B VAL 165 CA and /C VAL 165 CA: 18.972Å |
4398 | | |
4399 | | > distance #7/B:163@ca #7/C:163@ca color black |
4400 | | |
4401 | | Distance between MolABC_no_nuc.pdb #7/B ALA 163 CA and /C ALA 163 CA: 20.705Å |
4402 | | |
4403 | | > distance #7/B:161@ca #7/C:161@ca color black |
4404 | | |
4405 | | Distance between MolABC_no_nuc.pdb #7/B PHE 161 CA and /C PHE 161 CA: 23.247Å |
4406 | | |
4407 | | > distance #7/B:159@ca #7/C:159@ca color black |
4408 | | |
4409 | | Distance between MolABC_no_nuc.pdb #7/B GLY 159 CA and /C GLY 159 CA: 18.386Å |
4410 | | |
4411 | | > distance #7/B:157@ca #7/C:157@ca color black |
4412 | | |
4413 | | Distance between MolABC_no_nuc.pdb #7/B LEU 157 CA and /C LEU 157 CA: 25.664Å |
4414 | | |
4415 | | > distance #7/B:155@ca #7/C:155@ca color black |
4416 | | |
4417 | | Distance between MolABC_no_nuc.pdb #7/B MET 155 CA and /C MET 155 CA: 17.226Å |
4418 | | |
4419 | | > distance #7/B:153@ca #7/C:153@ca color black |
4420 | | |
4421 | | Distance between MolABC_no_nuc.pdb #7/B ILE 153 CA and /C ILE 153 CA: 26.547Å |
4422 | | |
4423 | | > distance #7/B:151@ca #7/C:151@ca color black |
4424 | | |
4425 | | Distance between MolABC_no_nuc.pdb #7/B ILE 151 CA and /C ILE 151 CA: 18.605Å |
4426 | | |
4427 | | > distance #7/B:149@ca #7/C:149@ca color black |
4428 | | |
4429 | | Distance between MolABC_no_nuc.pdb #7/B MET 149 CA and /C MET 149 CA: 25.434Å |
4430 | | |
4431 | | > label height 1.5 |
4432 | | |
4433 | | [Repeated 1 time(s)] |
4434 | | |
4435 | | > ui mousemode right "move label" |
4436 | | |
4437 | | > ui mousemode right zoom |
4438 | | |
4439 | | > save /Users/alexandrakaragiaridi/Desktop/image2.png supersample 3 |
4440 | | |
4441 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
4442 | | |
4443 | | > select add #7 |
4444 | | |
4445 | | 11335 atoms, 11571 bonds, 13 pseudobonds, 1452 residues, 3 models selected |
4446 | | |
4447 | | > select subtract #7 |
4448 | | |
4449 | | Nothing selected |
4450 | | |
4451 | | > select #7/B:172 |
4452 | | |
4453 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4454 | | |
4455 | | > select #7/B:172-325 |
4456 | | |
4457 | | 1177 atoms, 1204 bonds, 154 residues, 1 model selected |
4458 | | |
4459 | | > select #7/B:27 |
4460 | | |
4461 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
4462 | | |
4463 | | > select #7/B:27-34 |
4464 | | |
4465 | | 62 atoms, 62 bonds, 8 residues, 1 model selected |
4466 | | |
4467 | | > matchmaker #3/b:147-185 to #7/b:147-185 |
4468 | | |
4469 | | Parameters |
4470 | | --- |
4471 | | Chain pairing | bb |
4472 | | Alignment algorithm | Needleman-Wunsch |
4473 | | Similarity matrix | BLOSUM-62 |
4474 | | SS fraction | 0.3 |
4475 | | Gap open (HH/SS/other) | 18/18/6 |
4476 | | Gap extend | 1 |
4477 | | SS matrix | | | H | S | O |
4478 | | ---|---|---|--- |
4479 | | H | 6 | -9 | -6 |
4480 | | S | | 6 | -6 |
4481 | | O | | | 4 |
4482 | | Iteration cutoff | 2 |
4483 | | |
4484 | | Matchmaker MolABC_no_nuc.pdb, chain B (#7) with |
4485 | | MolBC_WT_final_structure_chains_renamed.pdb, chain B (#3), sequence alignment |
4486 | | score = 186.6 |
4487 | | RMSD between 39 pruned atom pairs is 0.343 angstroms; (across all 39 pairs: |
4488 | | 0.343) |
4489 | | |
4490 | | |
4491 | | > select add #7 |
4492 | | |
4493 | | 11335 atoms, 11571 bonds, 13 pseudobonds, 1452 residues, 3 models selected |
4494 | | |
4495 | | > select subtract #7 |
4496 | | |
4497 | | Nothing selected |
4498 | | |
4499 | | > show #!3 models |
4500 | | |
4501 | | > surface hidePatches #3-4,7 |
4502 | | |
4503 | | > color #3 darkgrey |
4504 | | |
4505 | | > hide #!3 models |
4506 | | |
4507 | | > show #!3 models |
4508 | | |
4509 | | > hide #!7 models |
4510 | | |
4511 | | > show #!7 models |
4512 | | |
4513 | | > hide #!3 models |
4514 | | |
4515 | | > hide #!7 models |
4516 | | |
4517 | | > show #!3 models |
4518 | | |
4519 | | > hide #!3 models |
4520 | | |
4521 | | > show #!7 models |
4522 | | |
4523 | | > select #7 |
4524 | | |
4525 | | 11335 atoms, 11571 bonds, 13 pseudobonds, 1452 residues, 3 models selected |
4526 | | |
4527 | | > surface (#!7 & sel) |
4528 | | |
4529 | | > transparency (#!7 & sel) 60 |
4530 | | |
4531 | | > select add #4 |
4532 | | |
4533 | | 11335 atoms, 11571 bonds, 15 pseudobonds, 1452 residues, 9 models selected |
4534 | | |
4535 | | > select subtract #4 |
4536 | | |
4537 | | 11335 atoms, 11571 bonds, 1 pseudobond, 1452 residues, 7 models selected |
4538 | | |
4539 | | > select subtract #7 |
4540 | | |
4541 | | 5 models selected |
4542 | | |
4543 | | > ui mousemode right "translate selected models" |
4544 | | |
4545 | | > ui mousemode right "rotate selected models" |
4546 | | |
4547 | | > ui mousemode right zoom |
4548 | | |
4549 | | > label height 2.5 |
4550 | | |
4551 | | [Repeated 1 time(s)] |
4552 | | |
4553 | | > ui mousemode right "move label" |
4554 | | |
4555 | | > ~distance #7/B:149@CA #7/C:149@CA |
4556 | | |
4557 | | > ~distance #7/B:151@CA #7/C:151@CA |
4558 | | |
4559 | | > ~distance #7/B:153@CA #7/C:153@CA |
4560 | | |
4561 | | > ~distance #7/B:155@CA #7/C:155@CA |
4562 | | |
4563 | | > ~distance #7/B:157@CA #7/C:157@CA |
4564 | | |
4565 | | > ~distance #7/B:159@CA #7/C:159@CA |
4566 | | |
4567 | | > ~distance #7/B:161@CA #7/C:161@CA |
4568 | | |
4569 | | > ~distance #7/B:163@CA #7/C:163@CA |
4570 | | |
4571 | | > ~distance #7/B:165@CA #7/C:165@CA |
4572 | | |
4573 | | > ~distance #7/B:169@CA #7/C:169@CA |
4574 | | |
4575 | | > ~distance #7/B:167@CA #7/C:167@CA |
4576 | | |
4577 | | > distance #7/B:169@ca #7/C:169@ca color black |
4578 | | |
4579 | | Distance between MolABC_no_nuc.pdb #7/B GLN 169 CA and /C GLN 169 CA: 15.265Å |
4580 | | |
4581 | | > label height 2.5 |
4582 | | |
4583 | | [Repeated 1 time(s)] |
4584 | | |
4585 | | > ~distance #7/B:169@CA #7/C:169@CA |
4586 | | |
4587 | | > ~distance #7/B:171@CA #7/C:171@CA |
4588 | | |
4589 | | > hide #!7 models |
4590 | | |
4591 | | > open /Users/alexandrakaragiaridi/Desktop/MolABC_nuc_chains_renamed.pdb |
4592 | | |
4593 | | Chain information for MolABC_nuc_chains_renamed.pdb #8 |
4594 | | --- |
4595 | | Chain | Description |
4596 | | A | No description available |
4597 | | B | No description available |
4598 | | C | No description available |
4599 | | D E | No description available |
4600 | | |
4601 | | |
4602 | | > ui mousemode right "translate selected models" |
4603 | | |
4604 | | > view |
4605 | | |
4606 | | > select #8 |
4607 | | |
4608 | | 10337 atoms, 10549 bonds, 4 pseudobonds, 1316 residues, 2 models selected |
4609 | | |
4610 | | > hide sel atoms |
4611 | | |
4612 | | > show sel cartoons |
4613 | | |
4614 | | > select #8/A:23-341 |
4615 | | |
4616 | | 1487 atoms, 1510 bonds, 3 pseudobonds, 187 residues, 2 models selected |
4617 | | |
4618 | | > color (#!8 & sel) yellow |
4619 | | |
4620 | | > select #8/B:7-331 |
4621 | | |
4622 | | 2278 atoms, 2327 bonds, 1 pseudobond, 299 residues, 2 models selected |
4623 | | |
4624 | | > color (#!8 & sel) blue |
4625 | | |
4626 | | > select #8/C:6-331 |
4627 | | |
4628 | | 2494 atoms, 2550 bonds, 326 residues, 1 model selected |
4629 | | |
4630 | | > color sel cornflower blue |
4631 | | |
4632 | | > select #8/D:2-252 |
4633 | | |
4634 | | 1995 atoms, 2035 bonds, 251 residues, 1 model selected |
4635 | | |
4636 | | > color sel purple |
4637 | | |
4638 | | > select #8/E:2-252 |
4639 | | |
4640 | | 1995 atoms, 2035 bonds, 251 residues, 1 model selected |
4641 | | |
4642 | | > ui tool show "Color Actions" |
4643 | | |
4644 | | > color sel violet |
4645 | | |
4646 | | > ~select |
4647 | | |
4648 | | Nothing selected |
4649 | | |
4650 | | > select #8/b,c |
4651 | | |
4652 | | 4772 atoms, 4877 bonds, 1 pseudobond, 625 residues, 2 models selected |
4653 | | Alignment identifier is 8/B |
4654 | | Alignment identifier is 8/C |
4655 | | |
4656 | | > ~select |
4657 | | |
4658 | | Nothing selected |
4659 | | |
4660 | | > select #8/B:146 |
4661 | | |
4662 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4663 | | |
4664 | | > select #8/B:7-146 |
4665 | | |
4666 | | 858 atoms, 876 bonds, 1 pseudobond, 114 residues, 2 models selected |
4667 | | |
4668 | | > cartoon hide (#!8 & sel) |
4669 | | |
4670 | | > select #8/B:172 |
4671 | | |
4672 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4673 | | |
4674 | | > select #8/B:172-331 |
4675 | | |
4676 | | 1230 atoms, 1258 bonds, 160 residues, 1 model selected |
4677 | | |
4678 | | > cartoon hide sel |
4679 | | |
4680 | | > select #8/C:146 |
4681 | | |
4682 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4683 | | |
4684 | | > select #8/C:6-146 |
4685 | | |
4686 | | 1074 atoms, 1099 bonds, 141 residues, 1 model selected |
4687 | | |
4688 | | > cartoon hide sel |
4689 | | |
4690 | | > select #8/C:172 |
4691 | | |
4692 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
4693 | | |
4694 | | > select #8/C:172-331 |
4695 | | |
4696 | | 1230 atoms, 1258 bonds, 160 residues, 1 model selected |
4697 | | |
4698 | | > cartoon hide sel |
4699 | | |
4700 | | > ~select |
4701 | | |
4702 | | Nothing selected |
4703 | | |
4704 | | > select #8/a,d,e |
4705 | | |
4706 | | 5477 atoms, 5580 bonds, 3 pseudobonds, 689 residues, 2 models selected |
4707 | | |
4708 | | > hide sel cartoons |
4709 | | |
4710 | | > select add #8 |
4711 | | |
4712 | | 10337 atoms, 10549 bonds, 4 pseudobonds, 1316 residues, 2 models selected |
4713 | | |
4714 | | > select subtract #8 |
4715 | | |
4716 | | Nothing selected |
4717 | | |
4718 | | > ui mousemode right zoom |
4719 | | |
4720 | | > ui mousemode right "translate selected models" |
4721 | | |
4722 | | > ui mousemode right zoom |
4723 | | |
4724 | | > matchmaker #3/b:147-185 to #8/b:147-185 |
4725 | | |
4726 | | Parameters |
4727 | | --- |
4728 | | Chain pairing | bb |
4729 | | Alignment algorithm | Needleman-Wunsch |
4730 | | Similarity matrix | BLOSUM-62 |
4731 | | SS fraction | 0.3 |
4732 | | Gap open (HH/SS/other) | 18/18/6 |
4733 | | Gap extend | 1 |
4734 | | SS matrix | | | H | S | O |
4735 | | ---|---|---|--- |
4736 | | H | 6 | -9 | -6 |
4737 | | S | | 6 | -6 |
4738 | | O | | | 4 |
4739 | | Iteration cutoff | 2 |
4740 | | |
4741 | | Matchmaker MolABC_nuc_chains_renamed.pdb, chain B (#8) with |
4742 | | MolBC_WT_final_structure_chains_renamed.pdb, chain B (#3), sequence alignment |
4743 | | score = 190.2 |
4744 | | RMSD between 39 pruned atom pairs is 0.552 angstroms; (across all 39 pairs: |
4745 | | 0.552) |
4746 | | |
4747 | | |
4748 | | > show #!3 models |
4749 | | |
4750 | | > hide #!3 models |
4751 | | |
4752 | | > distance #7/B:171@ca #7/C:171@ca color black |
4753 | | |
4754 | | Distance between MolABC_no_nuc.pdb #7/B ILE 171 CA and /C ILE 171 CA: 23.719Å |
4755 | | |
4756 | | > distance #8/B:171@ca #8/C:171@ca color black |
4757 | | |
4758 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B ILE 171 CA and /C ILE 171 |
4759 | | CA: 23.083Å |
4760 | | |
4761 | | > distance #8/B:169@ca #8/C:169@ca color black |
4762 | | |
4763 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B GLN 169 CA and /C GLN 169 |
4764 | | CA: 15.069Å |
4765 | | |
4766 | | > distance #8/B:167@ca #8/C:167@ca color black |
4767 | | |
4768 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B LEU 167 CA and /C LEU 167 |
4769 | | CA: 22.924Å |
4770 | | |
4771 | | > distance #8/B:165@ca #8/C:165@ca color black |
4772 | | |
4773 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B VAL 165 CA and /C VAL 165 |
4774 | | CA: 19.082Å |
4775 | | |
4776 | | > distance #8/B:163@ca #8/C:163@ca color black |
4777 | | |
4778 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B ALA 163 CA and /C ALA 163 |
4779 | | CA: 21.089Å |
4780 | | |
4781 | | > distance #8/B:161@ca #8/C:161@ca color black |
4782 | | |
4783 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B PHE 161 CA and /C PHE 161 |
4784 | | CA: 24.043Å |
4785 | | |
4786 | | > distance #8/B:159@ca #8/C:159@ca color black |
4787 | | |
4788 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B GLY 159 CA and /C GLY 159 |
4789 | | CA: 19.297Å |
4790 | | |
4791 | | > distance #8/B:157@ca #8/C:157@ca color black |
4792 | | |
4793 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B LEU 157 CA and /C LEU 157 |
4794 | | CA: 26.623Å |
4795 | | |
4796 | | > distance #8/B:155@ca #8/C:155@ca color black |
4797 | | |
4798 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B MET 155 CA and /C MET 155 |
4799 | | CA: 18.196Å |
4800 | | |
4801 | | > distance #8/B:153@ca #8/C:153@ca color black |
4802 | | |
4803 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B ILE 153 CA and /C ILE 153 |
4804 | | CA: 27.497Å |
4805 | | |
4806 | | > distance #8/B:151@ca #8/C:151@ca color black |
4807 | | |
4808 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B ILE 151 CA and /C ILE 151 |
4809 | | CA: 18.896Å |
4810 | | |
4811 | | > distance #8/B:149@ca #8/C:149@ca color black |
4812 | | |
4813 | | Distance between MolABC_nuc_chains_renamed.pdb #8/B MET 149 CA and /C MET 149 |
4814 | | CA: 26.821Å |
4815 | | |
4816 | | > label height 1.5 |
4817 | | |
4818 | | [Repeated 1 time(s)] |
4819 | | |
4820 | | > ui mousemode right "move label" |
4821 | | |
4822 | | > ui mousemode right zoom |
4823 | | |
4824 | | > ui mousemode right "translate selected models" |
4825 | | |
4826 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
4827 | | |
4828 | | > select #8 |
4829 | | |
4830 | | 10337 atoms, 10549 bonds, 16 pseudobonds, 1316 residues, 3 models selected |
4831 | | |
4832 | | > show sel surfaces |
4833 | | |
4834 | | > transparency (#!8 & sel) 60 |
4835 | | |
4836 | | > select subtract #8 |
4837 | | |
4838 | | 5 models selected |
4839 | | |
4840 | | > ui mousemode right zoom |
4841 | | |
4842 | | > ui mousemode right "translate selected models" |
4843 | | |
4844 | | > ui mousemode right zoom |
4845 | | |
4846 | | > ui mousemode right "translate selected models" |
4847 | | |
4848 | | > ui mousemode right zoom |
4849 | | |
4850 | | > select ::name="ANP" |
4851 | | |
4852 | | 88 atoms, 92 bonds, 2 residues, 1 model selected |
4853 | | |
4854 | | > show sel surfaces |
4855 | | |
4856 | | > color (#!8 & sel) forest green |
4857 | | |
4858 | | > ~select |
4859 | | |
4860 | | Nothing selected |
4861 | | |
4862 | | > label height 2.5 |
4863 | | |
4864 | | [Repeated 1 time(s)] |
4865 | | |
4866 | | > ui mousemode right "move label" |
4867 | | |
4868 | | > ~distance #7/B:171@CA #7/C:171@CA |
4869 | | |
4870 | | > ~distance #8/B:149@CA #8/C:149@CA |
4871 | | |
4872 | | > ~distance #8/B:151@CA #8/C:151@CA |
4873 | | |
4874 | | > ~distance #8/B:153@CA #8/C:153@CA |
4875 | | |
4876 | | > ~distance #8/B:155@CA #8/C:155@CA |
4877 | | |
4878 | | > ~distance #8/B:157@CA #8/C:157@CA |
4879 | | |
4880 | | > ~distance #8/B:159@CA #8/C:159@CA |
4881 | | |
4882 | | > ~distance #8/B:161@CA #8/C:161@CA |
4883 | | |
4884 | | > ~distance #8/B:163@CA #8/C:163@CA |
4885 | | |
4886 | | > ~distance #8/B:165@CA #8/C:165@CA |
4887 | | |
4888 | | > ~distance #8/B:167@CA #8/C:167@CA |
4889 | | |
4890 | | > ~distance #8/B:169@CA #8/C:169@CA |
4891 | | |
4892 | | > ~distance #8/B:171@CA #8/C:171@CA |
4893 | | |
4894 | | > save /Users/alexandrakaragiaridi/Desktop/040325_analysis.cxs |
4895 | | |
4896 | | > hide #!4 models |
4897 | | |
4898 | | > hide #4.1 models |
4899 | | |
4900 | | > select #8 |
4901 | | |
4902 | | 10337 atoms, 10549 bonds, 4 pseudobonds, 1316 residues, 7 models selected |
4903 | | |
4904 | | > cartoon (#!8 & sel) |
4905 | | |
4906 | | > select #8/a,d,e |
4907 | | |
4908 | | 5477 atoms, 5580 bonds, 3 pseudobonds, 689 residues, 2 models selected |
4909 | | |
4910 | | > cartoon hide (#!8 & sel) |
4911 | | |
4912 | | > surface hidePatches (#!8 & sel) |
4913 | | |
4914 | | > select ::name="ANP" |
4915 | | |
4916 | | 88 atoms, 92 bonds, 2 residues, 1 model selected |
4917 | | |
4918 | | > hide sel atoms |
4919 | | |
4920 | | > hide sel surfaces |
4921 | | |
4922 | | > select #8/d,e |
4923 | | |
4924 | | 3990 atoms, 4070 bonds, 502 residues, 1 model selected |
4925 | | |
4926 | | > show sel surfaces |
4927 | | |
4928 | | > ~select |
4929 | | |
4930 | | Nothing selected |
4931 | | |
4932 | | > hide #!8 models |
4933 | | |
4934 | | > show #!3 models |
4935 | | |
4936 | | > cartoon #3 |
4937 | | |
4938 | | > ui mousemode right zoom |
4939 | | |
4940 | | > select #3/b |
4941 | | |
4942 | | 2323 atoms, 2374 bonds, 2 pseudobonds, 304 residues, 2 models selected |
4943 | | |
4944 | | > color (#!3 & sel) blue |
4945 | | |
4946 | | > select #3/c |
4947 | | |
4948 | | 2234 atoms, 2282 bonds, 2 pseudobonds, 294 residues, 2 models selected |
4949 | | |
4950 | | > color (#!3 & sel) cornflower blue |
4951 | | |
4952 | | > select #3/d |
4953 | | |
4954 | | 1885 atoms, 1919 bonds, 3 pseudobonds, 238 residues, 2 models selected |
4955 | | |
4956 | | > color (#!3 & sel) purple |
4957 | | |
4958 | | > select #3/e |
4959 | | |
4960 | | 1977 atoms, 2016 bonds, 1 pseudobond, 248 residues, 2 models selected |
4961 | | |
4962 | | > ui tool show "Color Actions" |
4963 | | |
4964 | | > color sel violet |
4965 | | |
4966 | | > ~select |
4967 | | |
4968 | | Nothing selected |
4969 | | |
4970 | | > show #!5 models |
4971 | | |
4972 | | > color #5 darkgrey |
4973 | | |
4974 | | > matchmaker #3/b:147-185 to #5/b:147-185 |
4975 | | |
4976 | | Parameters |
4977 | | --- |
4978 | | Chain pairing | bb |
4979 | | Alignment algorithm | Needleman-Wunsch |
4980 | | Similarity matrix | BLOSUM-62 |
4981 | | SS fraction | 0.3 |
4982 | | Gap open (HH/SS/other) | 18/18/6 |
4983 | | Gap extend | 1 |
4984 | | SS matrix | | | H | S | O |
4985 | | ---|---|---|--- |
4986 | | H | 6 | -9 | -6 |
4987 | | S | | 6 | -6 |
4988 | | O | | | 4 |
4989 | | Iteration cutoff | 2 |
4990 | | |
4991 | | Matchmaker MolBC_WT_in_C5_chains_renamed.pdb, chain B (#5) with |
4992 | | MolBC_WT_final_structure_chains_renamed.pdb, chain B (#3), sequence alignment |
4993 | | score = 186.6 |
4994 | | RMSD between 39 pruned atom pairs is 0.534 angstroms; (across all 39 pairs: |
4995 | | 0.534) |
4996 | | |
4997 | | |
4998 | | > view |
4999 | | |
5000 | | > hide #!3,5 surfaces |
5001 | | |
5002 | | > cartoon #3,5 |
5003 | | |
5004 | | > morph #3,5 frames 60 |
5005 | | |
5006 | | Computed 61 frame morph #9 |
5007 | | |
5008 | | > coordset #9 1,61 |
5009 | | |
5010 | | > movie record |
5011 | | |
5012 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie.mp4 framerate 25.0 |
5013 | | |
5014 | | Movie saved to /Users/alexandrakaragiaridi/Desktop/movie.mp4 |
5015 | | |
5016 | | |
5017 | | > hide #!9 models |
5018 | | |
5019 | | > hide #4.1 models |
5020 | | |
5021 | | > show #!3 models |
5022 | | |
5023 | | > color #3 darkgrey |
5024 | | |
5025 | | > show #!7 models |
5026 | | |
5027 | | > view |
5028 | | |
5029 | | > hide #!3 models |
5030 | | |
5031 | | > view |
5032 | | |
5033 | | > hide #!7 surfaces |
5034 | | |
5035 | | > cartoon #7 |
5036 | | |
5037 | | > matchmaker #3/b:147-185 to #7/b:147-185 |
5038 | | |
5039 | | Parameters |
5040 | | --- |
5041 | | Chain pairing | bb |
5042 | | Alignment algorithm | Needleman-Wunsch |
5043 | | Similarity matrix | BLOSUM-62 |
5044 | | SS fraction | 0.3 |
5045 | | Gap open (HH/SS/other) | 18/18/6 |
5046 | | Gap extend | 1 |
5047 | | SS matrix | | | H | S | O |
5048 | | ---|---|---|--- |
5049 | | H | 6 | -9 | -6 |
5050 | | S | | 6 | -6 |
5051 | | O | | | 4 |
5052 | | Iteration cutoff | 2 |
5053 | | |
5054 | | Matchmaker MolABC_no_nuc.pdb, chain B (#7) with |
5055 | | MolBC_WT_final_structure_chains_renamed.pdb, chain B (#3), sequence alignment |
5056 | | score = 186.6 |
5057 | | RMSD between 39 pruned atom pairs is 0.343 angstroms; (across all 39 pairs: |
5058 | | 0.343) |
5059 | | |
5060 | | |
5061 | | > show #!3 models |
5062 | | |
5063 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
5064 | | |
5065 | | > morph #7,3 frames 60 |
5066 | | |
5067 | | models have different number of chains, 5 (Morph - MolABC_no_nuc.pdb #/A,Morph |
5068 | | - MolABC_no_nuc.pdb #/B,Morph - MolABC_no_nuc.pdb #/C,Morph - |
5069 | | MolABC_no_nuc.pdb #/D,Morph - MolABC_no_nuc.pdb #/E) and 4 |
5070 | | (MolBC_WT_final_structure_chains_renamed.pdb |
5071 | | #3/B,MolBC_WT_final_structure_chains_renamed.pdb |
5072 | | #3/C,MolBC_WT_final_structure_chains_renamed.pdb |
5073 | | #3/D,MolBC_WT_final_structure_chains_renamed.pdb #3/E) |
5074 | | |
5075 | | > open |
5076 | | > /Users/alexandrakaragiaridi/Desktop/MolABC_no_nuc_everything/MolABC_no_nuc_MolA_deleted.pdb |
5077 | | |
5078 | | Chain information for MolABC_no_nuc_MolA_deleted.pdb #10 |
5079 | | --- |
5080 | | Chain | Description |
5081 | | B | No description available |
5082 | | C | No description available |
5083 | | D | No description available |
5084 | | E | No description available |
5085 | | |
5086 | | |
5087 | | > hide #!7 models |
5088 | | |
5089 | | > matchmaker #3/b:147-185 to #10/b:147-185 |
5090 | | |
5091 | | Parameters |
5092 | | --- |
5093 | | Chain pairing | bb |
5094 | | Alignment algorithm | Needleman-Wunsch |
5095 | | Similarity matrix | BLOSUM-62 |
5096 | | SS fraction | 0.3 |
5097 | | Gap open (HH/SS/other) | 18/18/6 |
5098 | | Gap extend | 1 |
5099 | | SS matrix | | | H | S | O |
5100 | | ---|---|---|--- |
5101 | | H | 6 | -9 | -6 |
5102 | | S | | 6 | -6 |
5103 | | O | | | 4 |
5104 | | Iteration cutoff | 2 |
5105 | | |
5106 | | Matchmaker MolABC_no_nuc_MolA_deleted.pdb, chain B (#10) with |
5107 | | MolBC_WT_final_structure_chains_renamed.pdb, chain B (#3), sequence alignment |
5108 | | score = 186.6 |
5109 | | RMSD between 39 pruned atom pairs is 0.343 angstroms; (across all 39 pairs: |
5110 | | 0.343) |
5111 | | |
5112 | | |
5113 | | > select #10/b |
5114 | | |
5115 | | 2441 atoms, 2496 bonds, 320 residues, 1 model selected |
5116 | | |
5117 | | > color sel blue |
5118 | | |
5119 | | > select #10/c |
5120 | | |
5121 | | 2411 atoms, 2465 bonds, 316 residues, 1 model selected |
5122 | | |
5123 | | > color sel cornflower blue |
5124 | | |
5125 | | > select #10/d |
5126 | | |
5127 | | 2003 atoms, 2043 bonds, 252 residues, 1 model selected |
5128 | | |
5129 | | > color sel purple |
5130 | | |
5131 | | > select #10/e |
5132 | | |
5133 | | 1995 atoms, 2035 bonds, 251 residues, 1 model selected |
5134 | | |
5135 | | > ui tool show "Color Actions" |
5136 | | |
5137 | | > color sel violet |
5138 | | |
5139 | | > ~select |
5140 | | |
5141 | | Nothing selected |
5142 | | |
5143 | | > select #3/b |
5144 | | |
5145 | | 2323 atoms, 2374 bonds, 2 pseudobonds, 304 residues, 2 models selected |
5146 | | |
5147 | | > ~select |
5148 | | |
5149 | | Nothing selected |
5150 | | |
5151 | | > morph #10,3 frames 60 |
5152 | | |
5153 | | Computed 61 frame morph #11 |
5154 | | |
5155 | | > coordset #11 1,61 |
5156 | | |
5157 | | > ui mousemode right "translate selected models" |
5158 | | |
5159 | | > movie record |
5160 | | |
5161 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie.mp4 framerate 25.0 |
5162 | | |
5163 | | Movie saved to /Users/alexandrakaragiaridi/Desktop/movie.mp4 |
5164 | | |
5165 | | |
5166 | | > movie record |
5167 | | |
5168 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie.mp4 framerate 25.0 |
5169 | | |
5170 | | Movie saved to /Users/alexandrakaragiaridi/Desktop/movie.mp4 |
5171 | | |
5172 | | |
5173 | | > hide #!11 models |
5174 | | |
5175 | | > open /Users/alexandrakaragiaridi/Desktop/MolABC_nuc_MolA_deleted.pdb |
5176 | | |
5177 | | Chain information for MolABC_nuc_MolA_deleted.pdb #12 |
5178 | | --- |
5179 | | Chain | Description |
5180 | | B | No description available |
5181 | | C | No description available |
5182 | | D E | No description available |
5183 | | |
5184 | | |
5185 | | > view |
5186 | | |
5187 | | > select #12/b |
5188 | | |
5189 | | 2278 atoms, 2327 bonds, 1 pseudobond, 299 residues, 2 models selected |
5190 | | |
5191 | | > color (#!12 & sel) blue |
5192 | | |
5193 | | > select #12/c |
5194 | | |
5195 | | 2494 atoms, 2550 bonds, 326 residues, 1 model selected |
5196 | | |
5197 | | > color sel cornflower blue |
5198 | | |
5199 | | > select #12/d |
5200 | | |
5201 | | 1995 atoms, 2035 bonds, 251 residues, 1 model selected |
5202 | | |
5203 | | > color sel purple |
5204 | | |
5205 | | > select #12/e |
5206 | | |
5207 | | 1995 atoms, 2035 bonds, 251 residues, 1 model selected |
5208 | | |
5209 | | > ui tool show "Color Actions" |
5210 | | |
5211 | | > color sel violet |
5212 | | |
5213 | | > matchmaker #3/b:147-185 to #12/b:147-185 |
5214 | | |
5215 | | Parameters |
5216 | | --- |
5217 | | Chain pairing | bb |
5218 | | Alignment algorithm | Needleman-Wunsch |
5219 | | Similarity matrix | BLOSUM-62 |
5220 | | SS fraction | 0.3 |
5221 | | Gap open (HH/SS/other) | 18/18/6 |
5222 | | Gap extend | 1 |
5223 | | SS matrix | | | H | S | O |
5224 | | ---|---|---|--- |
5225 | | H | 6 | -9 | -6 |
5226 | | S | | 6 | -6 |
5227 | | O | | | 4 |
5228 | | Iteration cutoff | 2 |
5229 | | |
5230 | | Matchmaker MolABC_nuc_MolA_deleted.pdb, chain B (#12) with |
5231 | | MolBC_WT_final_structure_chains_renamed.pdb, chain B (#3), sequence alignment |
5232 | | score = 190.2 |
5233 | | RMSD between 39 pruned atom pairs is 0.552 angstroms; (across all 39 pairs: |
5234 | | 0.552) |
5235 | | |
5236 | | |
5237 | | > show #!3 models |
5238 | | |
5239 | | > select add #12 |
5240 | | |
5241 | | 8850 atoms, 9039 bonds, 1 pseudobond, 1129 residues, 2 models selected |
5242 | | |
5243 | | > select subtract #12 |
5244 | | |
5245 | | Nothing selected |
5246 | | |
5247 | | > hide #!12 models |
5248 | | |
5249 | | > show #!8 models |
5250 | | |
5251 | | > surface hidePatches #3,8 |
5252 | | |
5253 | | > cartoon #3,8 |
5254 | | |
5255 | | > matchmaker #3/b:147-185 to #8/b:147-185 |
5256 | | |
5257 | | Parameters |
5258 | | --- |
5259 | | Chain pairing | bb |
5260 | | Alignment algorithm | Needleman-Wunsch |
5261 | | Similarity matrix | BLOSUM-62 |
5262 | | SS fraction | 0.3 |
5263 | | Gap open (HH/SS/other) | 18/18/6 |
5264 | | Gap extend | 1 |
5265 | | SS matrix | | | H | S | O |
5266 | | ---|---|---|--- |
5267 | | H | 6 | -9 | -6 |
5268 | | S | | 6 | -6 |
5269 | | O | | | 4 |
5270 | | Iteration cutoff | 2 |
5271 | | |
5272 | | Matchmaker MolABC_nuc_chains_renamed.pdb, chain B (#8) with |
5273 | | MolBC_WT_final_structure_chains_renamed.pdb, chain B (#3), sequence alignment |
5274 | | score = 190.2 |
5275 | | RMSD between 39 pruned atom pairs is 0.552 angstroms; (across all 39 pairs: |
5276 | | 0.552) |
5277 | | |
5278 | | |
5279 | | > ui mousemode right zoom |
5280 | | |
5281 | | > ui mousemode right "translate selected models" |
5282 | | |
5283 | | > ui mousemode right zoom |
5284 | | |
5285 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
5286 | | |
5287 | | > hide #!8 models |
5288 | | |
5289 | | > show #!12 models |
5290 | | |
5291 | | > ui mousemode right "translate selected models" |
5292 | | |
5293 | | > hide #!12 models |
5294 | | |
5295 | | > show #!8 models |
5296 | | |
5297 | | > hide #!8 models |
5298 | | |
5299 | | > show #!12 models |
5300 | | |
5301 | | > morph #12,3 frames 60 |
5302 | | |
5303 | | Computed 61 frame morph #13 |
5304 | | |
5305 | | > coordset #13 1,61 |
5306 | | |
5307 | | > movie record |
5308 | | |
5309 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie.mp4 framerate 25.0 |
5310 | | |
5311 | | Movie saved to /Users/alexandrakaragiaridi/Desktop/movie.mp4 |
5312 | | |
5313 | | |
5314 | | > save /Users/alexandrakaragiaridi/Desktop/040325_analysis.cxs |
5315 | | |
5316 | | ——— End of log from Fri Apr 4 15:35:46 2025 ——— |
5317 | | |
5318 | | opened ChimeraX session |
5319 | | |
5320 | | > close #13 |
5321 | | |
5322 | | > close #11 |
5323 | | |
5324 | | > rename #3 MolBC_WT_final_structure_chains_renamed_cryo.pdb |
5325 | | |
5326 | | > show #!3 models |
5327 | | |
5328 | | > hide #!3 models |
5329 | | |
5330 | | > rename #1 MolBC_in_DM_chains_renamed.pdb |
5331 | | |
5332 | | > rename #3 MolBC_WT_in_DDM_chains_renamed_cryo.pdb |
5333 | | |
5334 | | > rename #8 MolABC_nuc.pdb |
5335 | | |
5336 | | > show #!8 models |
5337 | | |
5338 | | > hide #!8 models |
5339 | | |
5340 | | > show #!7 models |
5341 | | |
5342 | | > ui mousemode right "translate selected models" |
5343 | | |
5344 | | > select #7/b |
5345 | | |
5346 | | 2441 atoms, 2496 bonds, 320 residues, 1 model selected |
5347 | | Alignment identifier is 7/B |
5348 | | |
5349 | | > ~select |
5350 | | |
5351 | | Nothing selected |
5352 | | |
5353 | | > show #!3 models |
5354 | | |
5355 | | > select #3/b |
5356 | | |
5357 | | 2323 atoms, 2374 bonds, 2 pseudobonds, 304 residues, 2 models selected |
5358 | | Alignment identifier is 3/B |
5359 | | |
5360 | | > ~select |
5361 | | |
5362 | | Nothing selected |
5363 | | |
5364 | | > select #3/B:54-55 |
5365 | | |
5366 | | 18 atoms, 17 bonds, 2 residues, 1 model selected |
5367 | | |
5368 | | > select #3/B:54-86 |
5369 | | |
5370 | | 242 atoms, 243 bonds, 33 residues, 1 model selected |
5371 | | |
5372 | | > select #7/B:52 |
5373 | | |
5374 | | 7 atoms, 7 bonds, 1 residue, 1 model selected |
5375 | | |
5376 | | > select #7/B:52-87 |
5377 | | |
5378 | | 267 atoms, 270 bonds, 36 residues, 1 model selected |
5379 | | |
5380 | | > matchmaker #3/b:52-87 to #7/b:52-87 |
5381 | | |
5382 | | Parameters |
5383 | | --- |
5384 | | Chain pairing | bb |
5385 | | Alignment algorithm | Needleman-Wunsch |
5386 | | Similarity matrix | BLOSUM-62 |
5387 | | SS fraction | 0.3 |
5388 | | Gap open (HH/SS/other) | 18/18/6 |
5389 | | Gap extend | 1 |
5390 | | SS matrix | | | H | S | O |
5391 | | ---|---|---|--- |
5392 | | H | 6 | -9 | -6 |
5393 | | S | | 6 | -6 |
5394 | | O | | | 4 |
5395 | | Iteration cutoff | 2 |
5396 | | |
5397 | | Matchmaker MolABC_no_nuc.pdb, chain B (#7) with |
5398 | | MolBC_WT_in_DDM_chains_renamed_cryo.pdb, chain B (#3), sequence alignment |
5399 | | score = 176.5 |
5400 | | RMSD between 34 pruned atom pairs is 0.581 angstroms; (across all 36 pairs: |
5401 | | 1.157) |
5402 | | |
5403 | | |
5404 | | > select add #7 |
5405 | | |
5406 | | 11335 atoms, 11571 bonds, 1 pseudobond, 1452 residues, 3 models selected |
5407 | | |
5408 | | > select subtract #7 |
5409 | | |
5410 | | 5 models selected |
5411 | | |
5412 | | > color #3 #929292ff |
5413 | | |
5414 | | > color #3 #919191ff |
5415 | | |
5416 | | > color #3 #797979ff |
5417 | | |
5418 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
5419 | | |
5420 | | > hide #!7 models |
5421 | | |
5422 | | > show #10 models |
5423 | | |
5424 | | > matchmaker #3/b:52-87 to #10/b:52-87 |
5425 | | |
5426 | | Parameters |
5427 | | --- |
5428 | | Chain pairing | bb |
5429 | | Alignment algorithm | Needleman-Wunsch |
5430 | | Similarity matrix | BLOSUM-62 |
5431 | | SS fraction | 0.3 |
5432 | | Gap open (HH/SS/other) | 18/18/6 |
5433 | | Gap extend | 1 |
5434 | | SS matrix | | | H | S | O |
5435 | | ---|---|---|--- |
5436 | | H | 6 | -9 | -6 |
5437 | | S | | 6 | -6 |
5438 | | O | | | 4 |
5439 | | Iteration cutoff | 2 |
5440 | | |
5441 | | Matchmaker MolABC_no_nuc_MolA_deleted.pdb, chain B (#10) with |
5442 | | MolBC_WT_in_DDM_chains_renamed_cryo.pdb, chain B (#3), sequence alignment |
5443 | | score = 176.5 |
5444 | | RMSD between 34 pruned atom pairs is 0.581 angstroms; (across all 36 pairs: |
5445 | | 1.157) |
5446 | | |
5447 | | |
5448 | | > morph #3,10 frames 60 |
5449 | | |
5450 | | Computed 61 frame morph #11 |
5451 | | |
5452 | | > coordset #11 1,61 |
5453 | | |
5454 | | > hide #!11 models |
5455 | | |
5456 | | > show #!3 models |
5457 | | |
5458 | | > show #10 models |
5459 | | |
5460 | | > morph #10,3 frames 60 |
5461 | | |
5462 | | Computed 61 frame morph #13 |
5463 | | |
5464 | | > coordset #13 1,61 |
5465 | | |
5466 | | > morph #10,3 frames 100 |
5467 | | |
5468 | | Computed 101 frame morph #14 |
5469 | | |
5470 | | > coordset #14 1,101 |
5471 | | |
5472 | | > hide #!13 models |
5473 | | |
5474 | | > show #!13 models |
5475 | | |
5476 | | > hide #!14 models |
5477 | | |
5478 | | > hide #!13 models |
5479 | | |
5480 | | > show #!13 models |
5481 | | |
5482 | | > hide #!13 models |
5483 | | |
5484 | | > close #13 |
5485 | | |
5486 | | > close #14 |
5487 | | |
5488 | | > show #!3 models |
5489 | | |
5490 | | > show #10 models |
5491 | | |
5492 | | > morph #3,10 frames 100 |
5493 | | |
5494 | | Computed 101 frame morph #13 |
5495 | | |
5496 | | > coordset #13 1,101 |
5497 | | |
5498 | | > close #13 |
5499 | | |
5500 | | > show #!3 models |
5501 | | |
5502 | | > show #10 models |
5503 | | |
5504 | | > morph #10,3 frames 60 |
5505 | | |
5506 | | Computed 61 frame morph #13 |
5507 | | |
5508 | | > coordset #13 1,61 |
5509 | | |
5510 | | > movie record |
5511 | | |
5512 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie.mp4 framerate 25.0 |
5513 | | |
5514 | | Movie saved to /Users/alexandrakaragiaridi/Desktop/movie.mp4 |
5515 | | |
5516 | | |
5517 | | > hide #!13 models |
5518 | | |
5519 | | > show #!3 models |
5520 | | |
5521 | | > show #10 models |
5522 | | |
5523 | | > morph #3,10 frames 60 |
5524 | | |
5525 | | Computed 61 frame morph #14 |
5526 | | |
5527 | | > coordset #14 1,61 |
5528 | | |
5529 | | > movie record |
5530 | | |
5531 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie.mp4 framerate 25.0 |
5532 | | |
5533 | | Error processing trigger "new frame": |
5534 | | Movie encoding failed because no images were recorded. |
5535 | | |
5536 | | > movie record |
5537 | | |
5538 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie.mp4 framerate 25.0 |
5539 | | |
5540 | | Movie saved to /Users/alexandrakaragiaridi/Desktop/movie.mp4 |
5541 | | |
5542 | | |
5543 | | > hide #!14 models |
5544 | | |
5545 | | > show #!3 models |
5546 | | |
5547 | | > show #!8 models |
5548 | | |
5549 | | > select #8/b |
5550 | | |
5551 | | 2278 atoms, 2327 bonds, 1 pseudobond, 299 residues, 2 models selected |
5552 | | Alignment identifier is 8/B |
5553 | | |
5554 | | > ~select |
5555 | | |
5556 | | Nothing selected |
5557 | | |
5558 | | > matchmaker #3/b:56-87 to #8/b:56-87 |
5559 | | |
5560 | | Parameters |
5561 | | --- |
5562 | | Chain pairing | bb |
5563 | | Alignment algorithm | Needleman-Wunsch |
5564 | | Similarity matrix | BLOSUM-62 |
5565 | | SS fraction | 0.3 |
5566 | | Gap open (HH/SS/other) | 18/18/6 |
5567 | | Gap extend | 1 |
5568 | | SS matrix | | | H | S | O |
5569 | | ---|---|---|--- |
5570 | | H | 6 | -9 | -6 |
5571 | | S | | 6 | -6 |
5572 | | O | | | 4 |
5573 | | Iteration cutoff | 2 |
5574 | | |
5575 | | Matchmaker MolABC_nuc.pdb, chain B (#8) with |
5576 | | MolBC_WT_in_DDM_chains_renamed_cryo.pdb, chain B (#3), sequence alignment |
5577 | | score = 161.8 |
5578 | | RMSD between 32 pruned atom pairs is 0.522 angstroms; (across all 32 pairs: |
5579 | | 0.522) |
5580 | | |
5581 | | |
5582 | | > view |
5583 | | |
5584 | | > save /Users/alexandrakaragiaridi/Desktop/image2.png supersample 3 |
5585 | | |
5586 | | > hide #!8 models |
5587 | | |
5588 | | > show #!12 models |
5589 | | |
5590 | | > matchmaker #3/b:56-87 to #8/b:56-87 |
5591 | | |
5592 | | Parameters |
5593 | | --- |
5594 | | Chain pairing | bb |
5595 | | Alignment algorithm | Needleman-Wunsch |
5596 | | Similarity matrix | BLOSUM-62 |
5597 | | SS fraction | 0.3 |
5598 | | Gap open (HH/SS/other) | 18/18/6 |
5599 | | Gap extend | 1 |
5600 | | SS matrix | | | H | S | O |
5601 | | ---|---|---|--- |
5602 | | H | 6 | -9 | -6 |
5603 | | S | | 6 | -6 |
5604 | | O | | | 4 |
5605 | | Iteration cutoff | 2 |
5606 | | |
5607 | | Matchmaker MolABC_nuc.pdb, chain B (#8) with |
5608 | | MolBC_WT_in_DDM_chains_renamed_cryo.pdb, chain B (#3), sequence alignment |
5609 | | score = 161.8 |
5610 | | RMSD between 32 pruned atom pairs is 0.522 angstroms; (across all 32 pairs: |
5611 | | 0.522) |
5612 | | |
5613 | | |
5614 | | > morph #12,3 frames 60 |
5615 | | |
5616 | | Computed 61 frame morph #15 |
5617 | | |
5618 | | > coordset #15 1,61 |
5619 | | |
5620 | | > movie record |
5621 | | |
5622 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie.mp4 framerate 25.0 |
5623 | | |
5624 | | Movie saved to /Users/alexandrakaragiaridi/Desktop/movie.mp4 |
5625 | | |
5626 | | |
5627 | | > hide #!15 models |
5628 | | |
5629 | | > show #!3 models |
5630 | | |
5631 | | > show #!12 models |
5632 | | |
5633 | | > morph #3,12 frames 60 |
5634 | | |
5635 | | Computed 61 frame morph #16 |
5636 | | |
5637 | | > coordset #16 1,61 |
5638 | | |
5639 | | > movie record |
5640 | | |
5641 | | > movie encode /Users/alexandrakaragiaridi/Desktop/movie.mp4 framerate 25.0 |
5642 | | |
5643 | | Movie saved to /Users/alexandrakaragiaridi/Desktop/movie.mp4 |
5644 | | |
5645 | | |
5646 | | > hide #!16 models |
5647 | | |
5648 | | > show #!3 models |
5649 | | |
5650 | | > show #10 models |
5651 | | |
5652 | | > matchmaker #3/b:52-87 to #10/b:52-87 |
5653 | | |
5654 | | Parameters |
5655 | | --- |
5656 | | Chain pairing | bb |
5657 | | Alignment algorithm | Needleman-Wunsch |
5658 | | Similarity matrix | BLOSUM-62 |
5659 | | SS fraction | 0.3 |
5660 | | Gap open (HH/SS/other) | 18/18/6 |
5661 | | Gap extend | 1 |
5662 | | SS matrix | | | H | S | O |
5663 | | ---|---|---|--- |
5664 | | H | 6 | -9 | -6 |
5665 | | S | | 6 | -6 |
5666 | | O | | | 4 |
5667 | | Iteration cutoff | 2 |
5668 | | |
5669 | | Matchmaker MolABC_no_nuc_MolA_deleted.pdb, chain B (#10) with |
5670 | | MolBC_WT_in_DDM_chains_renamed_cryo.pdb, chain B (#3), sequence alignment |
5671 | | score = 176.5 |
5672 | | RMSD between 34 pruned atom pairs is 0.581 angstroms; (across all 36 pairs: |
5673 | | 1.157) |
5674 | | |
5675 | | |
5676 | | > ui mousemode right zoom |
5677 | | |
5678 | | > ui mousemode right "translate selected models" |
5679 | | |
5680 | | > select #3/b |
5681 | | |
5682 | | 2323 atoms, 2374 bonds, 2 pseudobonds, 304 residues, 2 models selected |
5683 | | |
5684 | | > color (#!3 & sel) orange |
5685 | | |
5686 | | > color (#!3 & sel) orange red |
5687 | | |
5688 | | > select #3/c |
5689 | | |
5690 | | 2234 atoms, 2282 bonds, 2 pseudobonds, 294 residues, 2 models selected |
5691 | | |
5692 | | > color (#!3 & sel) forest green |
5693 | | |
5694 | | > ~select |
5695 | | |
5696 | | Nothing selected |
5697 | | |
5698 | | > select #3/c |
5699 | | |
5700 | | 2234 atoms, 2282 bonds, 2 pseudobonds, 294 residues, 2 models selected |
5701 | | |
5702 | | > ui tool show "Color Actions" |
5703 | | |
5704 | | > color sel saddle brown |
5705 | | |
5706 | | > select #3/d |
5707 | | |
5708 | | 1885 atoms, 1919 bonds, 3 pseudobonds, 238 residues, 2 models selected |
5709 | | |
5710 | | > ~select |
5711 | | |
5712 | | Nothing selected |
5713 | | |
5714 | | > select #3/d,e |
5715 | | |
5716 | | 3862 atoms, 3935 bonds, 5 pseudobonds, 486 residues, 3 models selected |
5717 | | |
5718 | | > cartoon hide (#!3 & sel) |
5719 | | |
5720 | | > select #10/d,e |
5721 | | |
5722 | | 3998 atoms, 4078 bonds, 503 residues, 1 model selected |
5723 | | |
5724 | | > cartoon hide sel |
5725 | | |
5726 | | > select add #10 |
5727 | | |
5728 | | 8850 atoms, 9039 bonds, 1139 residues, 1 model selected |
5729 | | |
5730 | | > select subtract #10 |
5731 | | |
5732 | | Nothing selected |
5733 | | |
5734 | | > ui mousemode right zoom |
5735 | | |
5736 | | > ui tool show "Side View" |
5737 | | |
5738 | | > ui tool show Axes/Planes/Centroids |
5739 | | |
5740 | | > save /Users/alexandrakaragiaridi/Desktop/image3.png supersample 3 |
5741 | | |
5742 | | > ui tool show Axes/Planes/Centroids |
5743 | | |
5744 | | value: array([ 0, 0, 0, 255], dtype=uint8) default: None |
5745 | | |
5746 | | > define axis #3 perHelix true color black name "helix axes" |
5747 | | |
5748 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 1' |
5749 | | centered at [138.87288781 117.78180224 148.42755497] with direction [ |
5750 | | 0.0440841 -0.00343284 0.99902193], radius 1.84197, and length 21.5191 |
5751 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 2' |
5752 | | centered at [136.89511948 119.27405922 134.67479006] with direction [ |
5753 | | 0.08451804 -0.11156966 0.990156 ], radius 1.44753, and length 7.55249 |
5754 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 3' |
5755 | | centered at [144.01128977 114.05989748 123.60591038] with direction [0.9545536 |
5756 | | 0.24888157 0.16396765], radius 1.16133, and length 5.69625 |
5757 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 4' |
5758 | | centered at [146.98443498 118.23838681 127.30097697] with direction |
5759 | | [0.67184113 0.719126 0.17744662], radius 1.92464, and length 5.88277 |
5760 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 5' |
5761 | | centered at [150.46413505 128.9089645 146.65778978] with direction [0.21556326 |
5762 | | 0.47619176 0.85251034], radius 1.85607, and length 39.0284 |
5763 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 6' |
5764 | | centered at [162.52256844 142.63940295 136.02828041] with direction [ |
5765 | | 0.27282382 0.02254532 -0.96179981], radius 1.84926, and length 23.1877 |
5766 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 7' |
5767 | | centered at [168.38900361 139.87104636 144.90354783] with direction |
5768 | | [0.21440203 0.43472652 0.87466829], radius 1.95697, and length 38.1453 |
5769 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 8' |
5770 | | centered at [161.37459523 151.28871478 143.12819413] with direction |
5771 | | [-0.02791598 0.14852199 -0.98851501], radius 1.84012, and length 35.7778 |
5772 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 9' |
5773 | | centered at [154.88027968 145.06608012 126.7136637 ] with direction |
5774 | | [-0.53965869 -0.36466803 0.75880546], radius 1.73624, and length 11.5571 |
5775 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 10' |
5776 | | centered at [152.01490142 141.38744199 133.65031613] with direction |
5777 | | [-0.73611941 -0.00082326 0.67685119], radius 1.13652, and length 5.92586 |
5778 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 11' |
5779 | | centered at [159.02791703 123.43494192 138.60155144] with direction |
5780 | | [0.21299364 0.08258235 0.97355732], radius 1.85904, and length 16.6781 |
5781 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 12' |
5782 | | centered at [158.72486474 123.11321475 157.3782829 ] with direction |
5783 | | [-0.3437473 0.03748733 0.93831364], radius 1.80163, and length 7.70168 |
5784 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 13' |
5785 | | centered at [156.82043946 130.61392236 167.52160805] with direction |
5786 | | [-0.13681146 -0.9079335 -0.39615575], radius 1.76316, and length 8.14729 |
5787 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 14' |
5788 | | centered at [161.73668965 138.4798262 174.91852687] with direction [ |
5789 | | 0.08864439 0.92407725 -0.3717841 ], radius 1.56342, and length 5.87844 |
5790 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 15' |
5791 | | centered at [163.97384547 134.12606164 177.32571777] with direction [ |
5792 | | 0.28048337 0.89218889 -0.35401705], radius 1.19567, and length 5.28539 |
5793 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 16' |
5794 | | centered at [161.6792009 133.69839711 150.6143826 ] with direction |
5795 | | [-0.35567372 -0.03245447 -0.93404652], radius 1.90371, and length 32.7461 |
5796 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 17' |
5797 | | centered at [142.47807596 133.57148003 155.82946554] with direction |
5798 | | [-0.76939881 -0.0574665 0.63617849], radius 1.58457, and length 5.65891 |
5799 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 18' |
5800 | | centered at [140.21990568 130.59778964 159.96782242] with direction |
5801 | | [-0.66910528 0.00110959 0.7431668 ], radius 1.16549, and length 5.71771 |
5802 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 19' |
5803 | | centered at [143.31329819 127.50429047 147.60887881] with direction |
5804 | | [-0.34152171 0.19224759 -0.92000206], radius 1.94095, and length 36.4169 |
5805 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 20' |
5806 | | centered at [139.04079142 140.67324534 145.03288008] with direction |
5807 | | [-0.45861454 0.15994128 0.87412327], radius 1.91368, and length 23.535 |
5808 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 1' |
5809 | | centered at [163.2294379 183.2483208 147.72816911] with direction [ 0.16232497 |
5810 | | -0.06729814 -0.98443972], radius 1.84785, and length 19.9747 |
5811 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 2' |
5812 | | centered at [166.38264193 181.34888562 135.02965093] with direction [ |
5813 | | 0.18614011 -0.1161945 -0.97562836], radius 1.46901, and length 7.42552 |
5814 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 3' |
5815 | | centered at [151.14751531 171.39665553 147.30930401] with direction |
5816 | | [-0.28843731 -0.47151966 0.83335054], radius 1.88144, and length 38.8998 |
5817 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 4' |
5818 | | centered at [140.48527463 158.01748359 134.72758194] with direction |
5819 | | [-0.19079639 -0.05488875 -0.98009385], radius 1.84209, and length 23.4331 |
5820 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 5' |
5821 | | centered at [134.27304968 161.20652608 142.78627861] with direction |
5822 | | [-0.24658266 -0.42045288 0.87316457], radius 1.88261, and length 33.9177 |
5823 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 6' |
5824 | | centered at [140.98274908 150.00170498 143.83752847] with direction [ |
5825 | | 0.09536412 -0.19142402 -0.97686362], radius 1.85161, and length 39.0487 |
5826 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 7' |
5827 | | centered at [148.55019275 154.95279448 125.67151223] with direction |
5828 | | [0.33479868 0.28666457 0.89762646], radius 1.71026, and length 10.2146 |
5829 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 8' |
5830 | | centered at [150.6232085 158.76590252 131.58822087] with direction |
5831 | | [-0.26684054 0.15585634 0.95105464], radius 1.16158, and length 5.76255 |
5832 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 9' |
5833 | | centered at [143.13144099 177.5436752 142.77452959] with direction |
5834 | | [-0.16046819 0.01701625 0.98689432], radius 1.9463, and length 26.8796 |
5835 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 10' |
5836 | | centered at [143.02837214 178.22286017 158.7754407 ] with direction |
5837 | | [-0.38096048 -0.31575783 0.86900294], radius 1.20412, and length 5.28596 |
5838 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 11' |
5839 | | centered at [143.59843255 170.15589851 166.53285951] with direction [ |
5840 | | 0.04918429 -0.95745313 0.28436667], radius 1.5971, and length 11.0317 |
5841 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 12' |
5842 | | centered at [137.99810081 163.55370792 173.5505006 ] with direction |
5843 | | [-0.06121785 -0.94362406 -0.32530908], radius 1.57972, and length 5.69983 |
5844 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 13' |
5845 | | centered at [135.58382444 167.90992901 175.61219975] with direction |
5846 | | [-0.25305438 -0.90434208 -0.34369883], radius 1.19961, and length 5.28161 |
5847 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 14' |
5848 | | centered at [140.04917237 167.45543663 149.47364086] with direction [ |
5849 | | 0.41500885 0.01046323 -0.90975721], radius 1.89122, and length 32.139 |
5850 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 15' |
5851 | | centered at [159.99254977 169.7174672 158.21270651] with direction [0.45613914 |
5852 | | 0.56166159 0.69027048], radius 1.79128, and length 12.5526 |
5853 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 16' |
5854 | | centered at [152.43981866 175.99254125 160.74627567] with direction |
5855 | | [-0.29572772 0.05698523 0.95357108], radius 1.81357, and length 7.71215 |
5856 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 17' |
5857 | | centered at [160.47513667 173.0101247 144.08830691] with direction [ |
5858 | | 0.43750857 -0.28211725 -0.85381269], radius 1.85399, and length 31.2751 |
5859 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 18' |
5860 | | centered at [163.57342427 160.32346648 147.29998901] with direction [ |
5861 | | 0.31244959 -0.09350065 0.94532158], radius 2.0372, and length 26.3918 |
5862 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 1' |
5863 | | centered at [167.87615649 143.04389693 185.98121469] with direction [ 0.438123 |
5864 | | -0.83562973 -0.33131737], radius 1.81012, and length 14.1925 |
5865 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 2' |
5866 | | centered at [147.6201987 127.68936813 176.62184077] with direction [ |
5867 | | 0.93725005 0.16662752 -0.30626395], radius 1.56131, and length 6.06092 |
5868 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 3' |
5869 | | centered at [154.95568202 126.20793828 177.58107552] with direction [ |
5870 | | 0.95898997 -0.26644434 -0.09667287], radius 1.44573, and length 10.0638 |
5871 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 4' |
5872 | | centered at [151.15600715 118.6019877 181.57814446] with direction |
5873 | | [-0.37732147 0.56479719 0.73391596], radius 1.79916, and length 17.2473 |
5874 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 5' |
5875 | | centered at [146.55331579 123.39381244 190.23537683] with direction [ |
5876 | | 0.04673215 -0.81899731 -0.57189118], radius 1.1843, and length 5.42106 |
5877 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 6' |
5878 | | centered at [140.73208295 135.93343584 177.58493265] with direction |
5879 | | [-0.81812109 0.45557423 0.35089885], radius 1.15152, and length 5.77568 |
5880 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 7' |
5881 | | centered at [148.98351106 133.34372209 185.7268084 ] with direction [ |
5882 | | 0.77026349 -0.62284617 -0.13695546], radius 1.81761, and length 18.4936 |
5883 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 8' |
5884 | | centered at [157.23115414 125.30149438 184.62927987] with direction [ |
5885 | | 0.67554073 -0.41725825 -0.60789825], radius 1.1514, and length 5.8277 |
5886 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 9' |
5887 | | centered at [150.063202 134.06961112 197.9082053 ] with direction [ 0.72695201 |
5888 | | -0.66523867 0.17028885], radius 1.85312, and length 24.2887 |
5889 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 10' |
5890 | | centered at [155.63590787 142.9646218 203.72317399] with direction |
5891 | | [-0.12131521 0.97595014 -0.1811186 ], radius 1.6972, and length 11.4219 |
5892 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 11' |
5893 | | centered at [165.59051581 144.79740981 209.25865921] with direction [ |
5894 | | 4.40157598e-01 8.97920524e-01 -1.47057412e-04], radius 1.57329, and length |
5895 | | 5.79026 |
5896 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 12' |
5897 | | centered at [163.52091577 156.28680447 205.36494461] with direction [ |
5898 | | 0.06439306 -0.36066782 0.93046884], radius 1.86281, and length 11.8846 |
5899 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 1' |
5900 | | centered at [130.87501269 159.11892998 184.2442496 ] with direction |
5901 | | [-0.40949696 0.82601253 -0.3873184 ], radius 1.80496, and length 14.0558 |
5902 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 2' |
5903 | | centered at [151.85163649 174.25343037 176.03807778] with direction |
5904 | | [-0.92231263 -0.17427807 -0.34491532], radius 1.56122, and length 5.9922 |
5905 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 3' |
5906 | | centered at [144.50157861 175.78058157 176.35465875] with direction |
5907 | | [-0.94732324 0.25522088 -0.19349673], radius 1.44096, and length 10.1801 |
5908 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 4' |
5909 | | centered at [148.57410773 182.91758455 181.91135025] with direction [ |
5910 | | 0.33102847 -0.46584117 0.82061694], radius 1.85479, and length 20.4498 |
5911 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 5' |
5912 | | centered at [159.11810243 177.16289377 183.66867963] with direction [ |
5913 | | 0.28986355 -0.6503084 -0.70219521], radius 1.14027, and length 5.99708 |
5914 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 6' |
5915 | | centered at [149.76839231 168.9091345 185.16992042] with direction |
5916 | | [-0.75513013 0.61647857 -0.22300821], radius 1.81515, and length 18.5125 |
5917 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 7' |
5918 | | centered at [141.64126568 176.89330933 183.09126614] with direction |
5919 | | [-0.62885264 0.41150727 -0.65970155], radius 1.14434, and length 5.9151 |
5920 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 8' |
5921 | | centered at [147.24134326 169.09583718 197.32862548] with direction |
5922 | | [-0.71026615 0.69813961 0.09012817], radius 1.90461, and length 25.5463 |
5923 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 9' |
5924 | | centered at [141.63445911 159.08325547 202.95746234] with direction |
5925 | | [-0.06815874 0.94742795 0.31262545], radius 1.63707, and length 10.4006 |
5926 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 10' |
5927 | | centered at [131.09207528 158.14926242 207.79433463] with direction |
5928 | | [-0.49510089 -0.86657585 -0.06262105], radius 1.57904, and length 5.37778 |
5929 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 11' |
5930 | | centered at [133.55097158 146.50628731 204.2284949 ] with direction |
5931 | | [-0.15420662 0.41363509 0.89728832], radius 1.8638, and length 11.9168 |
5932 | | chain B helix 1 #3.6.1 to chain B helix 2 #3.6.2: distance: 1.279Å; angle: |
5933 | | 6.6° |
5934 | | |
5935 | | > select down |
5936 | | |
5937 | | Nothing selected |
5938 | | |
5939 | | > select down |
5940 | | |
5941 | | Nothing selected |
5942 | | |
5943 | | > select down |
5944 | | |
5945 | | Nothing selected |
5946 | | |
5947 | | > select down |
5948 | | |
5949 | | Nothing selected |
5950 | | |
5951 | | > select down |
5952 | | |
5953 | | Nothing selected |
5954 | | |
5955 | | > close #3.6.1-61 |
5956 | | |
5957 | | > ui tool show Axes/Planes/Centroids |
5958 | | |
5959 | | value: array([ 0, 0, 0, 255], dtype=uint8) default: None |
5960 | | |
5961 | | > define axis #3 perHelix true color black name "helix axes" radius 0.2 |
5962 | | |
5963 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 1' |
5964 | | centered at [138.87288781 117.78180224 148.42755497] with direction [ |
5965 | | 0.0440841 -0.00343284 0.99902193], radius 0.2, and length 21.5191 |
5966 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 2' |
5967 | | centered at [136.89511948 119.27405922 134.67479006] with direction [ |
5968 | | 0.08451804 -0.11156966 0.990156 ], radius 0.2, and length 7.55249 |
5969 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 3' |
5970 | | centered at [144.01128977 114.05989748 123.60591038] with direction [0.9545536 |
5971 | | 0.24888157 0.16396765], radius 0.2, and length 5.69625 |
5972 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 4' |
5973 | | centered at [146.98443498 118.23838681 127.30097697] with direction |
5974 | | [0.67184113 0.719126 0.17744662], radius 0.2, and length 5.88277 |
5975 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 5' |
5976 | | centered at [150.46413505 128.9089645 146.65778978] with direction [0.21556326 |
5977 | | 0.47619176 0.85251034], radius 0.2, and length 39.0284 |
5978 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 6' |
5979 | | centered at [162.52256844 142.63940295 136.02828041] with direction [ |
5980 | | 0.27282382 0.02254532 -0.96179981], radius 0.2, and length 23.1877 |
5981 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 7' |
5982 | | centered at [168.38900361 139.87104636 144.90354783] with direction |
5983 | | [0.21440203 0.43472652 0.87466829], radius 0.2, and length 38.1453 |
5984 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 8' |
5985 | | centered at [161.37459523 151.28871478 143.12819413] with direction |
5986 | | [-0.02791598 0.14852199 -0.98851501], radius 0.2, and length 35.7778 |
5987 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 9' |
5988 | | centered at [154.88027968 145.06608012 126.7136637 ] with direction |
5989 | | [-0.53965869 -0.36466803 0.75880546], radius 0.2, and length 11.5571 |
5990 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 10' |
5991 | | centered at [152.01490142 141.38744199 133.65031613] with direction |
5992 | | [-0.73611941 -0.00082326 0.67685119], radius 0.2, and length 5.92586 |
5993 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 11' |
5994 | | centered at [159.02791703 123.43494192 138.60155144] with direction |
5995 | | [0.21299364 0.08258235 0.97355732], radius 0.2, and length 16.6781 |
5996 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 12' |
5997 | | centered at [158.72486474 123.11321475 157.3782829 ] with direction |
5998 | | [-0.3437473 0.03748733 0.93831364], radius 0.2, and length 7.70168 |
5999 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 13' |
6000 | | centered at [156.82043946 130.61392236 167.52160805] with direction |
6001 | | [-0.13681146 -0.9079335 -0.39615575], radius 0.2, and length 8.14729 |
6002 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 14' |
6003 | | centered at [161.73668965 138.4798262 174.91852687] with direction [ |
6004 | | 0.08864439 0.92407725 -0.3717841 ], radius 0.2, and length 5.87844 |
6005 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 15' |
6006 | | centered at [163.97384547 134.12606164 177.32571777] with direction [ |
6007 | | 0.28048337 0.89218889 -0.35401705], radius 0.2, and length 5.28539 |
6008 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 16' |
6009 | | centered at [161.6792009 133.69839711 150.6143826 ] with direction |
6010 | | [-0.35567372 -0.03245447 -0.93404652], radius 0.2, and length 32.7461 |
6011 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 17' |
6012 | | centered at [142.47807596 133.57148003 155.82946554] with direction |
6013 | | [-0.76939881 -0.0574665 0.63617849], radius 0.2, and length 5.65891 |
6014 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 18' |
6015 | | centered at [140.21990568 130.59778964 159.96782242] with direction |
6016 | | [-0.66910528 0.00110959 0.7431668 ], radius 0.2, and length 5.71771 |
6017 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 19' |
6018 | | centered at [143.31329819 127.50429047 147.60887881] with direction |
6019 | | [-0.34152171 0.19224759 -0.92000206], radius 0.2, and length 36.4169 |
6020 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain B helix 20' |
6021 | | centered at [139.04079142 140.67324534 145.03288008] with direction |
6022 | | [-0.45861454 0.15994128 0.87412327], radius 0.2, and length 23.535 |
6023 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 1' |
6024 | | centered at [163.2294379 183.2483208 147.72816911] with direction [ 0.16232497 |
6025 | | -0.06729814 -0.98443972], radius 0.2, and length 19.9747 |
6026 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 2' |
6027 | | centered at [166.38264193 181.34888562 135.02965093] with direction [ |
6028 | | 0.18614011 -0.1161945 -0.97562836], radius 0.2, and length 7.42552 |
6029 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 3' |
6030 | | centered at [151.14751531 171.39665553 147.30930401] with direction |
6031 | | [-0.28843731 -0.47151966 0.83335054], radius 0.2, and length 38.8998 |
6032 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 4' |
6033 | | centered at [140.48527463 158.01748359 134.72758194] with direction |
6034 | | [-0.19079639 -0.05488875 -0.98009385], radius 0.2, and length 23.4331 |
6035 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 5' |
6036 | | centered at [134.27304968 161.20652608 142.78627861] with direction |
6037 | | [-0.24658266 -0.42045288 0.87316457], radius 0.2, and length 33.9177 |
6038 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 6' |
6039 | | centered at [140.98274908 150.00170498 143.83752847] with direction [ |
6040 | | 0.09536412 -0.19142402 -0.97686362], radius 0.2, and length 39.0487 |
6041 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 7' |
6042 | | centered at [148.55019275 154.95279448 125.67151223] with direction |
6043 | | [0.33479868 0.28666457 0.89762646], radius 0.2, and length 10.2146 |
6044 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 8' |
6045 | | centered at [150.6232085 158.76590252 131.58822087] with direction |
6046 | | [-0.26684054 0.15585634 0.95105464], radius 0.2, and length 5.76255 |
6047 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 9' |
6048 | | centered at [143.13144099 177.5436752 142.77452959] with direction |
6049 | | [-0.16046819 0.01701625 0.98689432], radius 0.2, and length 26.8796 |
6050 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 10' |
6051 | | centered at [143.02837214 178.22286017 158.7754407 ] with direction |
6052 | | [-0.38096048 -0.31575783 0.86900294], radius 0.2, and length 5.28596 |
6053 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 11' |
6054 | | centered at [143.59843255 170.15589851 166.53285951] with direction [ |
6055 | | 0.04918429 -0.95745313 0.28436667], radius 0.2, and length 11.0317 |
6056 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 12' |
6057 | | centered at [137.99810081 163.55370792 173.5505006 ] with direction |
6058 | | [-0.06121785 -0.94362406 -0.32530908], radius 0.2, and length 5.69983 |
6059 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 13' |
6060 | | centered at [135.58382444 167.90992901 175.61219975] with direction |
6061 | | [-0.25305438 -0.90434208 -0.34369883], radius 0.2, and length 5.28161 |
6062 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 14' |
6063 | | centered at [140.04917237 167.45543663 149.47364086] with direction [ |
6064 | | 0.41500885 0.01046323 -0.90975721], radius 0.2, and length 32.139 |
6065 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 15' |
6066 | | centered at [159.99254977 169.7174672 158.21270651] with direction [0.45613914 |
6067 | | 0.56166159 0.69027048], radius 0.2, and length 12.5526 |
6068 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 16' |
6069 | | centered at [152.43981866 175.99254125 160.74627567] with direction |
6070 | | [-0.29572772 0.05698523 0.95357108], radius 0.2, and length 7.71215 |
6071 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 17' |
6072 | | centered at [160.47513667 173.0101247 144.08830691] with direction [ |
6073 | | 0.43750857 -0.28211725 -0.85381269], radius 0.2, and length 31.2751 |
6074 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain C helix 18' |
6075 | | centered at [163.57342427 160.32346648 147.29998901] with direction [ |
6076 | | 0.31244959 -0.09350065 0.94532158], radius 0.2, and length 26.3918 |
6077 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 1' |
6078 | | centered at [167.87615649 143.04389693 185.98121469] with direction [ 0.438123 |
6079 | | -0.83562973 -0.33131737], radius 0.2, and length 14.1925 |
6080 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 2' |
6081 | | centered at [147.6201987 127.68936813 176.62184077] with direction [ |
6082 | | 0.93725005 0.16662752 -0.30626395], radius 0.2, and length 6.06092 |
6083 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 3' |
6084 | | centered at [154.95568202 126.20793828 177.58107552] with direction [ |
6085 | | 0.95898997 -0.26644434 -0.09667287], radius 0.2, and length 10.0638 |
6086 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 4' |
6087 | | centered at [151.15600715 118.6019877 181.57814446] with direction |
6088 | | [-0.37732147 0.56479719 0.73391596], radius 0.2, and length 17.2473 |
6089 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 5' |
6090 | | centered at [146.55331579 123.39381244 190.23537683] with direction [ |
6091 | | 0.04673215 -0.81899731 -0.57189118], radius 0.2, and length 5.42106 |
6092 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 6' |
6093 | | centered at [140.73208295 135.93343584 177.58493265] with direction |
6094 | | [-0.81812109 0.45557423 0.35089885], radius 0.2, and length 5.77568 |
6095 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 7' |
6096 | | centered at [148.98351106 133.34372209 185.7268084 ] with direction [ |
6097 | | 0.77026349 -0.62284617 -0.13695546], radius 0.2, and length 18.4936 |
6098 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 8' |
6099 | | centered at [157.23115414 125.30149438 184.62927987] with direction [ |
6100 | | 0.67554073 -0.41725825 -0.60789825], radius 0.2, and length 5.8277 |
6101 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 9' |
6102 | | centered at [150.063202 134.06961112 197.9082053 ] with direction [ 0.72695201 |
6103 | | -0.66523867 0.17028885], radius 0.2, and length 24.2887 |
6104 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 10' |
6105 | | centered at [155.63590787 142.9646218 203.72317399] with direction |
6106 | | [-0.12131521 0.97595014 -0.1811186 ], radius 0.2, and length 11.4219 |
6107 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 11' |
6108 | | centered at [165.59051581 144.79740981 209.25865921] with direction [ |
6109 | | 4.40157598e-01 8.97920524e-01 -1.47057412e-04], radius 0.2, and length 5.79026 |
6110 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain D helix 12' |
6111 | | centered at [163.52091577 156.28680447 205.36494461] with direction [ |
6112 | | 0.06439306 -0.36066782 0.93046884], radius 0.2, and length 11.8846 |
6113 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 1' |
6114 | | centered at [130.87501269 159.11892998 184.2442496 ] with direction |
6115 | | [-0.40949696 0.82601253 -0.3873184 ], radius 0.2, and length 14.0558 |
6116 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 2' |
6117 | | centered at [151.85163649 174.25343037 176.03807778] with direction |
6118 | | [-0.92231263 -0.17427807 -0.34491532], radius 0.2, and length 5.9922 |
6119 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 3' |
6120 | | centered at [144.50157861 175.78058157 176.35465875] with direction |
6121 | | [-0.94732324 0.25522088 -0.19349673], radius 0.2, and length 10.1801 |
6122 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 4' |
6123 | | centered at [148.57410773 182.91758455 181.91135025] with direction [ |
6124 | | 0.33102847 -0.46584117 0.82061694], radius 0.2, and length 20.4498 |
6125 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 5' |
6126 | | centered at [159.11810243 177.16289377 183.66867963] with direction [ |
6127 | | 0.28986355 -0.6503084 -0.70219521], radius 0.2, and length 5.99708 |
6128 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 6' |
6129 | | centered at [149.76839231 168.9091345 185.16992042] with direction |
6130 | | [-0.75513013 0.61647857 -0.22300821], radius 0.2, and length 18.5125 |
6131 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 7' |
6132 | | centered at [141.64126568 176.89330933 183.09126614] with direction |
6133 | | [-0.62885264 0.41150727 -0.65970155], radius 0.2, and length 5.9151 |
6134 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 8' |
6135 | | centered at [147.24134326 169.09583718 197.32862548] with direction |
6136 | | [-0.71026615 0.69813961 0.09012817], radius 0.2, and length 25.5463 |
6137 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 9' |
6138 | | centered at [141.63445911 159.08325547 202.95746234] with direction |
6139 | | [-0.06815874 0.94742795 0.31262545], radius 0.2, and length 10.4006 |
6140 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 10' |
6141 | | centered at [131.09207528 158.14926242 207.79433463] with direction |
6142 | | [-0.49510089 -0.86657585 -0.06262105], radius 0.2, and length 5.37778 |
6143 | | Axis 'MolBC_WT_in_DDM_chains_renamed_cryo.pdb #3/helix axes/chain E helix 11' |
6144 | | centered at [133.55097158 146.50628731 204.2284949 ] with direction |
6145 | | [-0.15420662 0.41363509 0.89728832], radius 0.2, and length 11.9168 |
6146 | | value: array([255, 212, 121, 255], dtype=uint8) default: None |
6147 | | |
6148 | | > define axis #10 perHelix true color #ffd479 name "helix axes" radius 0.2 |
6149 | | |
6150 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 1' centered |
6151 | | at [138.89432873 118.0602333 148.78947106] with direction [-0.03321708 |
6152 | | -0.02481161 -0.99914014], radius 0.2, and length 21.8343 |
6153 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 2' centered |
6154 | | at [137.22470514 119.20230369 134.81783977] with direction [-0.01245078 |
6155 | | 0.08491942 -0.99631003], radius 0.2, and length 7.63264 |
6156 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 3' centered |
6157 | | at [138.05372817 108.06764281 128.51475989] with direction [ 0.8026101 |
6158 | | -0.59184527 0.07440569], radius 0.2, and length 18.5767 |
6159 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 4' centered |
6160 | | at [145.72161104 116.33145977 124.84189419] with direction [0.1508822 |
6161 | | 0.53938742 0.8284297 ], radius 0.2, and length 16.9619 |
6162 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 5' centered |
6163 | | at [150.81669695 129.65128059 147.93503227] with direction [0.22863824 |
6164 | | 0.50193185 0.83413966], radius 0.2, and length 38.3494 |
6165 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 6' centered |
6166 | | at [155.28565702 143.07274943 150.93031609] with direction [0.52188408 |
6167 | | 0.82517202 0.21616696], radius 0.2, and length 6.46639 |
6168 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 7' centered |
6169 | | at [161.4682541 142.4935721 136.67182626] with direction [ 0.20901679 |
6170 | | -0.00098958 -0.97791155], radius 0.2, and length 21.903 |
6171 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 8' centered |
6172 | | at [167.8756954 139.366525 144.05325253] with direction [0.21956307 0.43124242 |
6173 | | 0.87511258], radius 0.2, and length 36.8449 |
6174 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 9' centered |
6175 | | at [160.91926351 150.94322402 144.77402766] with direction [-0.05428096 |
6176 | | 0.15150463 -0.98696501], radius 0.2, and length 38.4235 |
6177 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 10' centered |
6178 | | at [153.16255893 144.72955059 127.98594293] with direction [-0.39611073 |
6179 | | -0.47095447 0.7882247 ], radius 0.2, and length 12.3565 |
6180 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 11' centered |
6181 | | at [159.05351081 123.17544409 145.89835395] with direction [0.04832853 |
6182 | | 0.00678212 0.99880847], radius 0.2, and length 30.5075 |
6183 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 12' centered |
6184 | | at [156.62467727 129.23983617 166.64295286] with direction [-0.60476875 |
6185 | | 0.72433613 0.33104672], radius 0.2, and length 5.7345 |
6186 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 13' centered |
6187 | | at [157.41472133 133.74646525 168.35308858] with direction [ 0.28281302 |
6188 | | -0.91915742 0.27416498], radius 0.2, and length 5.7588 |
6189 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 14' centered |
6190 | | at [163.09860358 136.86333389 175.22680129] with direction [ 0.34520149 |
6191 | | -0.79444064 0.49969992], radius 0.2, and length 10.8468 |
6192 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 15' centered |
6193 | | at [161.69075667 133.55055861 150.55871106] with direction [-0.36743289 |
6194 | | -0.02621678 -0.92968046], radius 0.2, and length 32.6292 |
6195 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 16' centered |
6196 | | at [141.58698056 132.34284382 157.58710316] with direction [-0.29675497 |
6197 | | -0.608367 0.73608836], radius 0.2, and length 15.2808 |
6198 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 17' centered |
6199 | | at [143.12102326 127.70175984 146.94348142] with direction [-0.3506446 |
6200 | | 0.18488988 -0.9180763 ], radius 0.2, and length 37.8351 |
6201 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain B helix 18' centered |
6202 | | at [138.4415738 140.61248037 144.71229819] with direction [-0.44904978 |
6203 | | 0.15017058 0.88079685], radius 0.2, and length 22.7906 |
6204 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 1' centered |
6205 | | at [163.29064596 182.64512887 148.75598259] with direction [-0.05834301 |
6206 | | 0.00278421 0.99829271], radius 0.2, and length 21.7356 |
6207 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 2' centered |
6208 | | at [165.21133484 181.2794909 134.90715963] with direction [-0.06092366 |
6209 | | 0.07495203 0.99532432], radius 0.2, and length 7.38453 |
6210 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 3' centered |
6211 | | at [164.53561146 192.4729011 128.65578467] with direction [-0.81244329 |
6212 | | 0.5813858 0.04389144], radius 0.2, and length 18.5121 |
6213 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 4' centered |
6214 | | at [157.45680002 184.37817105 123.8528681 ] with direction [-0.32193823 |
6215 | | -0.50009725 0.80390206], radius 0.2, and length 14.3044 |
6216 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 5' centered |
6217 | | at [151.36637968 172.18926675 146.45943825] with direction [-0.2624205 |
6218 | | -0.46650916 0.84469206], radius 0.2, and length 38.9625 |
6219 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 6' centered |
6220 | | at [139.79168852 158.62661407 136.63319875] with direction [-0.20785876 |
6221 | | -0.01337435 -0.97806741], radius 0.2, and length 21.8971 |
6222 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 7' centered |
6223 | | at [133.6554324 161.4499327 144.85609143] with direction [-0.24901695 |
6224 | | -0.43824913 0.86367139], radius 0.2, and length 28.8519 |
6225 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 8' centered |
6226 | | at [140.13677409 149.89764288 143.42844734] with direction [ 0.05595601 |
6227 | | -0.15755276 -0.98592396], radius 0.2, and length 35.6621 |
6228 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 9' centered |
6229 | | at [148.28963686 155.95675428 127.59072569] with direction [0.45002321 |
6230 | | 0.52608488 0.72160503], radius 0.2, and length 9.98349 |
6231 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 10' centered |
6232 | | at [150.0577348 159.38419006 133.64248285] with direction [ 0.65314182 |
6233 | | -0.01925877 0.75699066], radius 0.2, and length 5.7923 |
6234 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 11' centered |
6235 | | at [142.89437046 178.30495372 145.65238848] with direction [-0.06655957 |
6236 | | -0.00993754 0.99773296], radius 0.2, and length 30.3111 |
6237 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 12' centered |
6238 | | at [144.66131052 173.82859124 165.72848631] with direction [-0.12653854 |
6239 | | -0.9912196 -0.03836286], radius 0.2, and length 5.90297 |
6240 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 13' centered |
6241 | | at [143.98287464 167.83074192 168.24932632] with direction [-0.27621718 |
6242 | | 0.93078782 0.23945377], radius 0.2, and length 5.71805 |
6243 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 14' centered |
6244 | | at [138.04156465 165.70742773 175.38542078] with direction [-0.22092881 |
6245 | | 0.89691282 0.38306377], radius 0.2, and length 11.423 |
6246 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 15' centered |
6247 | | at [139.6405478 167.88023035 151.11277642] with direction [ 0.3546893 |
6248 | | 0.01839823 -0.93480319], radius 0.2, and length 34.6455 |
6249 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 16' centered |
6250 | | at [160.210276 168.69872157 158.12497637] with direction [0.49255082 |
6251 | | 0.48463911 0.7228545 ], radius 0.2, and length 12.405 |
6252 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 17' centered |
6253 | | at [158.65506626 173.21794452 146.9061338 ] with direction [ 0.34973132 |
6254 | | -0.20483791 -0.91418239], radius 0.2, and length 37.8498 |
6255 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain C helix 18' centered |
6256 | | at [161.04181351 161.02595429 140.82768715] with direction [ 0.62687875 |
6257 | | -0.11819244 0.77009972], radius 0.2, and length 14.1207 |
6258 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 1' centered |
6259 | | at [168.76700144 141.7958998 185.53240035] with direction [ 0.41814452 |
6260 | | -0.85006236 -0.32023295], radius 0.2, and length 14.3046 |
6261 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 2' centered |
6262 | | at [148.24594739 127.49258116 176.58352434] with direction [ 0.94351814 |
6263 | | 0.14475109 -0.29802793], radius 0.2, and length 5.90175 |
6264 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 3' centered |
6265 | | at [155.45300825 125.8189693 177.34230037] with direction [ 0.94930299 |
6266 | | -0.28394858 -0.13489639], radius 0.2, and length 10.0409 |
6267 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 4' centered |
6268 | | at [151.10493761 119.20162945 182.35952123] with direction [-0.37011828 |
6269 | | 0.49951086 0.78326328], radius 0.2, and length 14.4107 |
6270 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 5' centered |
6271 | | at [147.40439667 123.05661258 190.19266188] with direction [-0.00875559 |
6272 | | -0.79589813 -0.60536725], radius 0.2, and length 5.44482 |
6273 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 6' centered |
6274 | | at [141.57140032 136.12936891 177.8823915 ] with direction [-0.77937561 |
6275 | | 0.4911306 0.38905578], radius 0.2, and length 5.93556 |
6276 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 7' centered |
6277 | | at [149.95074934 133.06815503 185.7198464 ] with direction [ 0.74252233 |
6278 | | -0.64996276 -0.16189194], radius 0.2, and length 18.616 |
6279 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 8' centered |
6280 | | at [157.89141083 124.64099433 184.3669659 ] with direction [ 0.63240665 |
6281 | | -0.47596771 -0.61116002], radius 0.2, and length 6.00605 |
6282 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 9' centered |
6283 | | at [151.32947596 133.32780545 197.91343184] with direction [ 0.71144945 |
6284 | | -0.68998224 0.13328237], radius 0.2, and length 24.2622 |
6285 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 10' centered |
6286 | | at [157.32927478 142.29031805 203.75612885] with direction [ 0.08528956 |
6287 | | -0.98386135 0.15729762], radius 0.2, and length 11.4332 |
6288 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 11' centered |
6289 | | at [167.45280133 143.21626877 209.07861051] with direction [ 0.51964799 |
6290 | | 0.85435156 -0.00702718], radius 0.2, and length 5.78006 |
6291 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain D helix 12' centered |
6292 | | at [165.55567951 155.12922861 205.26760417] with direction [ 0.14497464 |
6293 | | -0.39113787 0.90884186], radius 0.2, and length 12.0269 |
6294 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 1' centered |
6295 | | at [133.39473484 157.07146631 185.87999495] with direction [-0.39860215 |
6296 | | 0.88157301 -0.2528742 ], radius 0.2, and length 19.4134 |
6297 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 2' centered |
6298 | | at [153.07830876 173.80337272 176.46874051] with direction [-0.94017596 |
6299 | | -0.14546857 -0.30807153], radius 0.2, and length 6.02798 |
6300 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 3' centered |
6301 | | at [146.70080408 175.02852424 177.22092458] with direction [-9.91926295e-01 |
6302 | | 3.33135128e-04 -1.26815273e-01], radius 0.2, and length 7.52775 |
6303 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 4' centered |
6304 | | at [150.481171 182.85501584 182.3381486 ] with direction [ 0.32582667 |
6305 | | -0.48308072 0.81269306], radius 0.2, and length 20.9936 |
6306 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 5' centered |
6307 | | at [160.68109744 176.30491972 183.96304867] with direction [ 0.24314391 |
6308 | | -0.60924617 -0.75478484], radius 0.2, and length 6.12268 |
6309 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 6' centered |
6310 | | at [159.7829355 165.1504365 177.91728631] with direction [ 0.80732077 |
6311 | | -0.4232423 0.41121665], radius 0.2, and length 5.72695 |
6312 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 7' centered |
6313 | | at [151.26069892 168.44683323 185.62348711] with direction [-0.73463437 |
6314 | | 0.65423124 -0.17970486], radius 0.2, and length 18.5879 |
6315 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 8' centered |
6316 | | at [143.49635171 176.86572021 184.07650532] with direction [-0.61488979 |
6317 | | 0.45748837 -0.6423511 ], radius 0.2, and length 5.84625 |
6318 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 9' centered |
6319 | | at [149.7592522 168.1814334 197.81316584] with direction [-0.71101184 |
6320 | | 0.69313967 0.11840424], radius 0.2, and length 24.3445 |
6321 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 10' centered |
6322 | | at [143.7666456 159.45212789 203.61703639] with direction [ 0.08102842 |
6323 | | -0.98798961 -0.13157097], radius 0.2, and length 11.5155 |
6324 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 11' centered |
6325 | | at [133.80269407 159.30297004 209.29743794] with direction [-0.52713162 |
6326 | | -0.58705225 0.61441184], radius 0.2, and length 5.77119 |
6327 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/helix axes/chain E helix 12' centered |
6328 | | at [135.3884304 146.52843308 205.04864675] with direction [-0.12217055 |
6329 | | 0.41913337 0.89966748], radius 0.2, and length 11.9003 |
6330 | | chain D helix 1 #3.7.39 to chain D helix 2 #3.7.40: distance: 15.139Å; angle: |
6331 | | 68.1° |
6332 | | |
6333 | | > close #3.7.39-61 |
6334 | | |
6335 | | chain E helix 10 to chain E helix 11: distance: 6.298Å; angle: 70.2° |
6336 | | chain E helix 11 #10.1.59 to chain E helix 12 #10.1.60: distance: 7.725Å; |
6337 | | angle: 68.2° |
6338 | | |
6339 | | > close #10.1.37-60 |
6340 | | |
6341 | | chain E helix 11 to chain E helix 12: distance: 7.725Å; angle: 68.2° |
6342 | | |
6343 | | > ui mousemode right "translate selected models" |
6344 | | |
6345 | | > select #3.7.1 |
6346 | | |
6347 | | 1 model selected |
6348 | | |
6349 | | > select #10/d,e |
6350 | | |
6351 | | 3998 atoms, 4078 bonds, 503 residues, 1 model selected |
6352 | | |
6353 | | > cartoon sel |
6354 | | |
6355 | | > select #3/d,e |
6356 | | |
6357 | | 3862 atoms, 3935 bonds, 5 pseudobonds, 486 residues, 3 models selected |
6358 | | |
6359 | | > cartoon (#!3 & sel) |
6360 | | |
6361 | | > view matrix models |
6362 | | > #3,0.96671,0.25077,0.050765,-11.242,0.25302,-0.96646,-0.043981,247.19,0.038033,0.055362,-0.99774,263.7,#4,1,0,0,0,0,1,0,0,0,0,1,0 |
6363 | | |
6364 | | > matchmaker #3/b:52-87 to #10/b:52-87 |
6365 | | |
6366 | | Parameters |
6367 | | --- |
6368 | | Chain pairing | bb |
6369 | | Alignment algorithm | Needleman-Wunsch |
6370 | | Similarity matrix | BLOSUM-62 |
6371 | | SS fraction | 0.3 |
6372 | | Gap open (HH/SS/other) | 18/18/6 |
6373 | | Gap extend | 1 |
6374 | | SS matrix | | | H | S | O |
6375 | | ---|---|---|--- |
6376 | | H | 6 | -9 | -6 |
6377 | | S | | 6 | -6 |
6378 | | O | | | 4 |
6379 | | Iteration cutoff | 2 |
6380 | | |
6381 | | Matchmaker MolABC_no_nuc_MolA_deleted.pdb, chain B (#10) with |
6382 | | MolBC_WT_in_DDM_chains_renamed_cryo.pdb, chain B (#3), sequence alignment |
6383 | | score = 176.5 |
6384 | | RMSD between 34 pruned atom pairs is 0.581 angstroms; (across all 36 pairs: |
6385 | | 1.157) |
6386 | | |
6387 | | |
6388 | | > select #3.7.1 |
6389 | | |
6390 | | 1 model selected |
6391 | | |
6392 | | > ~select #3.7.1 |
6393 | | |
6394 | | Nothing selected |
6395 | | |
6396 | | > save /Users/alexandrakaragiaridi/Desktop/image4.png supersample 3 |
6397 | | |
6398 | | > select #10/d,e |
6399 | | |
6400 | | 3998 atoms, 4078 bonds, 503 residues, 1 model selected |
6401 | | |
6402 | | > cartoon hide sel |
6403 | | |
6404 | | > select #3/d,e |
6405 | | |
6406 | | 3862 atoms, 3935 bonds, 5 pseudobonds, 486 residues, 3 models selected |
6407 | | |
6408 | | > cartoon hide (#!3 & sel) |
6409 | | |
6410 | | > select add #4 |
6411 | | |
6412 | | 3862 atoms, 3935 bonds, 6 pseudobonds, 486 residues, 6 models selected |
6413 | | |
6414 | | > select subtract #4 |
6415 | | |
6416 | | 3862 atoms, 3935 bonds, 4 pseudobonds, 486 residues, 4 models selected |
6417 | | |
6418 | | > view matrix models |
6419 | | > #3,0.96671,0.25077,0.050765,-15.154,0.25302,-0.96646,-0.043981,247.55,0.038033,0.055362,-0.99774,284.39 |
6420 | | |
6421 | | > select add #3 |
6422 | | |
6423 | | 8419 atoms, 8591 bonds, 9 pseudobonds, 1084 residues, 45 models selected |
6424 | | |
6425 | | > select subtract #3 |
6426 | | |
6427 | | 4 models selected |
6428 | | |
6429 | | > matchmaker #3/b:52-87 to #10/b:52-87 |
6430 | | |
6431 | | Parameters |
6432 | | --- |
6433 | | Chain pairing | bb |
6434 | | Alignment algorithm | Needleman-Wunsch |
6435 | | Similarity matrix | BLOSUM-62 |
6436 | | SS fraction | 0.3 |
6437 | | Gap open (HH/SS/other) | 18/18/6 |
6438 | | Gap extend | 1 |
6439 | | SS matrix | | | H | S | O |
6440 | | ---|---|---|--- |
6441 | | H | 6 | -9 | -6 |
6442 | | S | | 6 | -6 |
6443 | | O | | | 4 |
6444 | | Iteration cutoff | 2 |
6445 | | |
6446 | | Matchmaker MolABC_no_nuc_MolA_deleted.pdb, chain B (#10) with |
6447 | | MolBC_WT_in_DDM_chains_renamed_cryo.pdb, chain B (#3), sequence alignment |
6448 | | score = 176.5 |
6449 | | RMSD between 34 pruned atom pairs is 0.581 angstroms; (across all 36 pairs: |
6450 | | 1.157) |
6451 | | |
6452 | | |
6453 | | > select #3/b |
6454 | | |
6455 | | 2323 atoms, 2374 bonds, 2 pseudobonds, 304 residues, 2 models selected |
6456 | | Alignment identifier is 3/B |
6457 | | |
6458 | | > select #10/b |
6459 | | |
6460 | | 2441 atoms, 2496 bonds, 320 residues, 1 model selected |
6461 | | Alignment identifier is 10/B |
6462 | | |
6463 | | > ~select |
6464 | | |
6465 | | Nothing selected |
6466 | | |
6467 | | > select #3/B:9 |
6468 | | |
6469 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
6470 | | |
6471 | | > select #3/B:9-26 |
6472 | | |
6473 | | 130 atoms, 130 bonds, 18 residues, 1 model selected |
6474 | | |
6475 | | > ~select |
6476 | | |
6477 | | Nothing selected |
6478 | | |
6479 | | > ui tool show "Color Actions" |
6480 | | |
6481 | | > ui mousemode right zoom |
6482 | | |
6483 | | > cartoon style #3,10 modeHelix tube sides 20 |
6484 | | |
6485 | | > ui tool show Angles/Torsions |
6486 | | |
6487 | | Either three or four atoms must be selected! |
6488 | | |
6489 | | > cartoon style #3,10 modeHelix tube sides 20 |
6490 | | |
6491 | | > cartoon style #3,10 xsection oval modeHelix default |
6492 | | |
6493 | | > ui mousemode right "translate selected models" |
6494 | | |
6495 | | > ui mousemode right zoom |
6496 | | |
6497 | | > hide #!10 models |
6498 | | |
6499 | | > hide #!3 models |
6500 | | |
6501 | | > open |
6502 | | > /Users/alexandrakaragiaridi/Desktop/MolBC_WT_cryo_EM_structure/MolBC_WT_in_DDM_chains_renamed.pdb |
6503 | | |
6504 | | Chain information for MolBC_WT_in_DDM_chains_renamed.pdb #17 |
6505 | | --- |
6506 | | Chain | Description |
6507 | | B | No description available |
6508 | | C | No description available |
6509 | | D | No description available |
6510 | | E | No description available |
6511 | | |
6512 | | |
6513 | | > rename #17 MolBC_WT_in_DDM_chains_renamed_test.pdb |
6514 | | |
6515 | | > open |
6516 | | > /Users/alexandrakaragiaridi/Desktop/MolABC_no_nuc_everything/MolABC_no_nuc_MolA_deleted.pdb |
6517 | | |
6518 | | Chain information for MolABC_no_nuc_MolA_deleted.pdb #18 |
6519 | | --- |
6520 | | Chain | Description |
6521 | | B | No description available |
6522 | | C | No description available |
6523 | | D | No description available |
6524 | | E | No description available |
6525 | | |
6526 | | |
6527 | | > rename #18 MolABC_no_nuc_MolA_deleted_test.pdb |
6528 | | |
6529 | | > matchmaker #17/b:52-87 to #18/b:52-87 |
6530 | | |
6531 | | Parameters |
6532 | | --- |
6533 | | Chain pairing | bb |
6534 | | Alignment algorithm | Needleman-Wunsch |
6535 | | Similarity matrix | BLOSUM-62 |
6536 | | SS fraction | 0.3 |
6537 | | Gap open (HH/SS/other) | 18/18/6 |
6538 | | Gap extend | 1 |
6539 | | SS matrix | | | H | S | O |
6540 | | ---|---|---|--- |
6541 | | H | 6 | -9 | -6 |
6542 | | S | | 6 | -6 |
6543 | | O | | | 4 |
6544 | | Iteration cutoff | 2 |
6545 | | |
6546 | | Matchmaker MolABC_no_nuc_MolA_deleted_test.pdb, chain B (#18) with |
6547 | | MolBC_WT_in_DDM_chains_renamed_test.pdb, chain B (#17), sequence alignment |
6548 | | score = 176.5 |
6549 | | RMSD between 34 pruned atom pairs is 0.581 angstroms; (across all 36 pairs: |
6550 | | 1.157) |
6551 | | |
6552 | | |
6553 | | > view |
6554 | | |
6555 | | > select #18/b |
6556 | | |
6557 | | 2441 atoms, 2496 bonds, 320 residues, 1 model selected |
6558 | | |
6559 | | > color sel blue |
6560 | | |
6561 | | > select #18/c |
6562 | | |
6563 | | 2411 atoms, 2465 bonds, 316 residues, 1 model selected |
6564 | | |
6565 | | > color sel cornflower blue |
6566 | | |
6567 | | > select #17/c |
6568 | | |
6569 | | 2234 atoms, 2282 bonds, 2 pseudobonds, 294 residues, 2 models selected |
6570 | | |
6571 | | > ui tool show "Color Actions" |
6572 | | |
6573 | | > color sel saddle brown |
6574 | | |
6575 | | > select #17/b |
6576 | | |
6577 | | 2323 atoms, 2374 bonds, 2 pseudobonds, 304 residues, 2 models selected |
6578 | | |
6579 | | > color (#!17 & sel) orange red |
6580 | | |
6581 | | > ~select |
6582 | | |
6583 | | Nothing selected |
6584 | | |
6585 | | > measure rotation #17 toModel #18 showSlabs true |
6586 | | |
6587 | | Position of MolBC_WT_in_DDM_chains_renamed_test.pdb #17 relative to |
6588 | | MolABC_no_nuc_MolA_deleted_test.pdb #18 coordinates: |
6589 | | Matrix rotation and translation |
6590 | | 0.96671388 0.25077316 0.05076500 -13.12646901 |
6591 | | 0.25301729 -0.96646153 -0.04398133 247.98830480 |
6592 | | 0.03803308 0.05536179 -0.99774173 274.25174590 |
6593 | | Axis 0.99163829 0.12708940 0.02240077 |
6594 | | Axis point 0.00000000 121.37679976 140.36816995 |
6595 | | Rotation angle (degrees) 177.12883000 |
6596 | | Shift along axis 24.64342675 |
6597 | | |
6598 | | |
6599 | | > hide #!20 models |
6600 | | |
6601 | | > hide #20.1 models |
6602 | | |
6603 | | > hide #20.2 models |
6604 | | |
6605 | | > hide #19 models |
6606 | | |
6607 | | > hide #!17 models |
6608 | | |
6609 | | > hide #18 models |
6610 | | |
6611 | | > show #!12 models |
6612 | | |
6613 | | > show #!3 models |
6614 | | |
6615 | | > hide #!12 models |
6616 | | |
6617 | | > show #!10 models |
6618 | | |
6619 | | > ui mousemode right "translate selected models" |
6620 | | |
6621 | | > ui mousemode right zoom |
6622 | | |
6623 | | > ui mousemode right "translate selected models" |
6624 | | |
6625 | | > ui mousemode right zoom |
6626 | | |
6627 | | > select #3/c:194 |
6628 | | |
6629 | | 14 atoms, 15 bonds, 1 residue, 1 model selected |
6630 | | |
6631 | | > show sel atoms |
6632 | | |
6633 | | > select #10/c:194 |
6634 | | |
6635 | | 14 atoms, 15 bonds, 1 residue, 1 model selected |
6636 | | |
6637 | | > show sel atoms |
6638 | | |
6639 | | > select add #10 |
6640 | | |
6641 | | 8850 atoms, 9039 bonds, 1139 residues, 38 models selected |
6642 | | |
6643 | | > select subtract #10 |
6644 | | |
6645 | | Nothing selected |
6646 | | |
6647 | | > ui mousemode right "translate selected models" |
6648 | | |
6649 | | Either three or four atoms must be selected! |
6650 | | |
6651 | | > select #10/c:194 |
6652 | | |
6653 | | 14 atoms, 15 bonds, 1 residue, 1 model selected |
6654 | | |
6655 | | > ui mousemode right select |
6656 | | |
6657 | | Drag select of 20 atoms, 23 bonds, 1 residues |
6658 | | Either three or four atoms must be selected! |
6659 | | |
6660 | | > select #10/c:194 |
6661 | | |
6662 | | 14 atoms, 15 bonds, 1 residue, 1 model selected |
6663 | | |
6664 | | > select #3/c:194 |
6665 | | |
6666 | | 14 atoms, 15 bonds, 1 residue, 1 model selected |
6667 | | Either three or four atoms must be selected! |
6668 | | |
6669 | | > ~select |
6670 | | |
6671 | | Nothing selected |
6672 | | No atoms selected |
6673 | | |
6674 | | > angle |
6675 | | |
6676 | | Missing or invalid "objects" argument: empty atom specifier |
6677 | | |
6678 | | > select #3.7.29 |
6679 | | |
6680 | | 1 model selected |
6681 | | |
6682 | | > select #10.1.29 |
6683 | | |
6684 | | 1 model selected |
6685 | | |
6686 | | > angle 3.7.29 to 10.1.29 |
6687 | | |
6688 | | Missing or invalid "objects" argument: invalid objects specifier |
6689 | | |
6690 | | > angle 3.7.29, 10.1.29 |
6691 | | |
6692 | | Missing or invalid "objects" argument: invalid objects specifier |
6693 | | |
6694 | | > angle 3.7.29 10.1.29 |
6695 | | |
6696 | | Missing or invalid "objects" argument: invalid objects specifier |
6697 | | |
6698 | | > angle @3.7.29 @10.1.29 |
6699 | | |
6700 | | Missing or invalid "objects" argument: only initial part "@3" of atom |
6701 | | specifier valid |
6702 | | |
6703 | | > angle @3.7.29, @10.1.29 |
6704 | | |
6705 | | Missing or invalid "objects" argument: only initial part "@3" of atom |
6706 | | specifier valid |
6707 | | |
6708 | | > angle @3.7.29 to @10.1.29 |
6709 | | |
6710 | | Missing or invalid "objects" argument: only initial part "@3" of atom |
6711 | | specifier valid |
6712 | | Either three or four atoms must be selected! |
6713 | | |
6714 | | > angle #3.7.29@ca to #10.1.29@ca |
6715 | | |
6716 | | Expected a number or a keyword |
6717 | | |
6718 | | > select #3.7.29 |
6719 | | |
6720 | | 1 model selected |
6721 | | chain C helix 9 #3.7.29 to chain C helix 11 #10.1.29: distance: 245.802Å; |
6722 | | angle: 5.6° |
6723 | | |
6724 | | > select add #3 |
6725 | | |
6726 | | 8419 atoms, 8591 bonds, 9 pseudobonds, 1084 residues, 43 models selected |
6727 | | |
6728 | | > select subtract #3 |
6729 | | |
6730 | | 4 models selected |
6731 | | |
6732 | | > ui mousemode right zoom |
6733 | | |
6734 | | > ui mousemode right "translate selected models" |
6735 | | |
6736 | | > hide #!3,10 atoms |
6737 | | |
6738 | | > ui mousemode right zoom |
6739 | | |
6740 | | > ui mousemode right "translate selected models" |
6741 | | |
6742 | | > view orient |
6743 | | |
6744 | | > view |
6745 | | |
6746 | | > ui tool show "Side View" |
6747 | | |
6748 | | > view |
6749 | | |
6750 | | > ui mousemode right zoom |
6751 | | |
6752 | | > cartoon style #3,10 modeHelix tube sides 20 |
6753 | | |
6754 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
6755 | | |
6756 | | > hide #!3 models |
6757 | | |
6758 | | > save /Users/alexandrakaragiaridi/Desktop/image2.png supersample 3 |
6759 | | |
6760 | | > show #!3 models |
6761 | | |
6762 | | > hide #!3 models |
6763 | | |
6764 | | > select #10.1.1 |
6765 | | |
6766 | | 1 model selected |
6767 | | |
6768 | | > ~select #10.1.1 |
6769 | | |
6770 | | Nothing selected |
6771 | | |
6772 | | > cartoon style #10.1.1#!10#!10.1 xsection oval modeHelix default |
6773 | | |
6774 | | > select #10.1.1 |
6775 | | |
6776 | | 1 model selected |
6777 | | |
6778 | | > ~select #10.1.1 |
6779 | | |
6780 | | Nothing selected |
6781 | | |
6782 | | > show #!3 models |
6783 | | |
6784 | | > cartoon style #3#10.1.2-5#!10#!10.1 xsection oval modeHelix default |
6785 | | |
6786 | | > hide #!3 models |
6787 | | |
6788 | | > cartoon style #10.1.2-5,7-11,14-27,29,32-36#!10#!10.1 modeHelix tube sides |
6789 | | > 20 |
6790 | | |
6791 | | > cartoon style #10.1.2-5,7-11,14-27,29,32-36#!10#!10.1 xsection oval |
6792 | | > modeHelix default |
6793 | | |
6794 | | > cartoon style #10.1.2-5,7-11,14-27,29,32-36#!10#!10.1 modeHelix tube sides |
6795 | | > 20 |
6796 | | |
6797 | | > show #!3 models |
6798 | | |
6799 | | > cartoon style #3#10.1.2-5,7-11,14-27,29,32-36#!10#!10.1 modeHelix tube sides |
6800 | | > 20 |
6801 | | |
6802 | | > save /Users/alexandrakaragiaridi/Desktop/image3.png supersample 3 |
6803 | | |
6804 | | > cartoon style #3#10.1.2-5,7-11,14-27,29,32-36#!10#!10.1 xsection oval |
6805 | | > modeHelix default |
6806 | | |
6807 | | > ui mousemode right "translate selected models" |
6808 | | |
6809 | | > ui mousemode right zoom |
6810 | | |
6811 | | chain B helix 2 #3.7.2 to chain B helix 2 #10.1.2: distance: 270.676Å; angle: |
6812 | | 4.4° |
6813 | | chain B helix 1 #3.7.1 to chain B helix 1 #10.1.1: distance: 242.099Å; angle: |
6814 | | 1.7° |
6815 | | |
6816 | | > ui mousemode right "translate selected models" |
6817 | | |
6818 | | > preset cartoons/nucleotides licorice/ovals |
6819 | | |
6820 | | Using preset: Cartoons/Nucleotides / Licorice/Ovals |
6821 | | Changed 21584 atom styles |
6822 | | Preset expands to these ChimeraX commands: |
6823 | | |
6824 | | |
6825 | | |
6826 | | show nucleic |
6827 | | hide protein|solvent|H |
6828 | | surf hide |
6829 | | style (protein|nucleic|solvent) & @@draw_mode=0 stick |
6830 | | cartoon |
6831 | | cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 |
6832 | | cartoon style ~(nucleic|strand) x round |
6833 | | cartoon style (nucleic|strand) x rect |
6834 | | cartoon style protein modeh default arrows f x round width 1 thick 1 |
6835 | | cartoon style nucleic x round width 1.6 thick 1.6 |
6836 | | nucleotides tube/slab shape ellipsoid |
6837 | | |
6838 | | |
6839 | | |
6840 | | > select #3/d,e |
6841 | | |
6842 | | 3862 atoms, 3935 bonds, 5 pseudobonds, 486 residues, 3 models selected |
6843 | | |
6844 | | > cartoon hide (#!3 & sel) |
6845 | | |
6846 | | > select #10/d,e |
6847 | | |
6848 | | 3998 atoms, 4078 bonds, 503 residues, 1 model selected |
6849 | | |
6850 | | > cartoon hide sel |
6851 | | |
6852 | | > cartoon style protein modeHelix default arrows false xsection round width |
6853 | | > 0.2 thickness 0.3 |
6854 | | |
6855 | | > select add #10 |
6856 | | |
6857 | | 8850 atoms, 9039 bonds, 1139 residues, 38 models selected |
6858 | | |
6859 | | > select subtract #10 |
6860 | | |
6861 | | Nothing selected |
6862 | | |
6863 | | > cartoon style #3,10 modeHelix tube sides 20 |
6864 | | |
6865 | | > hide #!10 models |
6866 | | |
6867 | | > show #!10 models |
6868 | | |
6869 | | > hide #!10 models |
6870 | | |
6871 | | > show #!11 models |
6872 | | |
6873 | | > hide #!11 models |
6874 | | |
6875 | | > show #!10 models |
6876 | | |
6877 | | > hide #!10 models |
6878 | | |
6879 | | > show #!10 models |
6880 | | |
6881 | | > cartoon style #3,10 xsection oval modeHelix default |
6882 | | |
6883 | | > cartoon style #3,10 modeHelix tube sides 20 |
6884 | | |
6885 | | > hide #!10 models |
6886 | | |
6887 | | > cartoon style #3 xsection oval modeHelix default |
6888 | | |
6889 | | > cartoon style #3 modeHelix tube sides 20 |
6890 | | |
6891 | | > show #!10 models |
6892 | | |
6893 | | > cartoon style #3,10 xsection rectangle modeHelix default |
6894 | | |
6895 | | > cartoon style (#3,10 & coil) xsection oval |
6896 | | |
6897 | | > cartoon style #3,10 xsection barbell modeHelix default |
6898 | | |
6899 | | > cartoon style #3,10 modeHelix tube sides 20 |
6900 | | |
6901 | | > ui mousemode right zoom |
6902 | | |
6903 | | > ui mousemode right "translate selected models" |
6904 | | |
6905 | | > hide #!10 models |
6906 | | |
6907 | | > save /Users/alexandrakaragiaridi/Desktop/image4.png supersample 3 |
6908 | | |
6909 | | > show #!10 models |
6910 | | |
6911 | | > hide #!3 models |
6912 | | |
6913 | | > save /Users/alexandrakaragiaridi/Desktop/image5.png supersample 3 |
6914 | | |
6915 | | > show #!3 models |
6916 | | |
6917 | | > save /Users/alexandrakaragiaridi/Desktop/image6.png supersample 3 |
6918 | | |
6919 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
6920 | | |
6921 | | > hide #!3 models |
6922 | | |
6923 | | > save /Users/alexandrakaragiaridi/Desktop/image2.png supersample 3 |
6924 | | |
6925 | | > show #!3 models |
6926 | | |
6927 | | > hide #!10 models |
6928 | | |
6929 | | > save /Users/alexandrakaragiaridi/Desktop/image3.png supersample 3 |
6930 | | |
6931 | | > show #!10 models |
6932 | | |
6933 | | > transparency #3 0.5 |
6934 | | |
6935 | | > transparency #3 0.5 target c |
6936 | | |
6937 | | > transparency #3 0.7 target c |
6938 | | |
6939 | | > transparency #3 0 target c |
6940 | | |
6941 | | > transparency #10 0.5 target c |
6942 | | |
6943 | | > transparency #10 0.5 target r |
6944 | | |
6945 | | > transparency #10 50 target r |
6946 | | |
6947 | | > save /Users/alexandrakaragiaridi/Desktop/image4.png supersample 3 |
6948 | | |
6949 | | > transparency #10 70 target r |
6950 | | |
6951 | | > save /Users/alexandrakaragiaridi/Desktop/image5.png supersample 3 |
6952 | | |
6953 | | > hide #!3 models |
6954 | | |
6955 | | > show #!3 models |
6956 | | |
6957 | | > transparency #3 50 target r |
6958 | | |
6959 | | > save /Users/alexandrakaragiaridi/Desktop/image6.png supersample 3 |
6960 | | |
6961 | | > transparency #3 0 target r |
6962 | | |
6963 | | > transparency #3=10 0 target r |
6964 | | |
6965 | | Missing or invalid "percent" argument: Expected a number |
6966 | | |
6967 | | > transparency #10 0 target r |
6968 | | |
6969 | | > hide #!3 models |
6970 | | |
6971 | | > show #!3 models |
6972 | | |
6973 | | > ui mousemode right zoom |
6974 | | |
6975 | | > hide #!3 models |
6976 | | |
6977 | | > show #!3 models |
6978 | | |
6979 | | > transparency #10 0.5 target r |
6980 | | |
6981 | | > transparency #10 0 target r |
6982 | | |
6983 | | > transparency #10 0.6 target r |
6984 | | |
6985 | | > transparency #10 0.7 target r |
6986 | | |
6987 | | > transparency #10 70 target r |
6988 | | |
6989 | | > transparency #10 50 target r |
6990 | | |
6991 | | > transparency #10 0 target r |
6992 | | |
6993 | | > transparency #10 70 target r |
6994 | | |
6995 | | > transparency #10 0 target r |
6996 | | |
6997 | | > cartoon style #3,10 xsection oval modeHelix default |
6998 | | |
6999 | | > ui mousemode right "translate selected models" |
7000 | | |
7001 | | > ui mousemode right zoom |
7002 | | |
7003 | | chain B helix 1 #10.1.1 to chain B helix 1 #3.7.1: distance: 242.099Å; angle: |
7004 | | 1.7° |
7005 | | chain B helix 2 #10.1.2 to chain B helix 2 #3.7.2: distance: 270.676Å; angle: |
7006 | | 4.4° |
7007 | | |
7008 | | > select #3.7.5 |
7009 | | |
7010 | | 1 model selected |
7011 | | |
7012 | | > ~select #3.7.5 |
7013 | | |
7014 | | Nothing selected |
7015 | | |
7016 | | > select #10.1.5 |
7017 | | |
7018 | | 1 model selected |
7019 | | |
7020 | | > ~select #10.1.5 |
7021 | | |
7022 | | Nothing selected |
7023 | | chain B helix 5 #3.7.5 to chain B helix 5 #10.1.5: distance: 119.069Å; angle: |
7024 | | 2.0° |
7025 | | |
7026 | | > select #3.7.3 |
7027 | | |
7028 | | 1 model selected |
7029 | | |
7030 | | > select #10.1.4 |
7031 | | |
7032 | | 1 model selected |
7033 | | |
7034 | | > select #3.7.3 |
7035 | | |
7036 | | 1 model selected |
7037 | | chain B helix 3 #3.7.3 to chain B helix 4 #10.1.4: distance: 87.665Å; angle: |
7038 | | 65.5° |
7039 | | No visible atoms or bonds selected |
7040 | | |
7041 | | > ~select #3.7.3 |
7042 | | |
7043 | | Nothing selected |
7044 | | |
7045 | | > cartoon style #3.1-6#3.7.1-5#10.1.1-5#!3,10#!3.7#!10.1 modeHelix tube sides |
7046 | | > 20 |
7047 | | |
7048 | | > cartoon style #3.1-6#3.7.1-5#10.1.1-5#!3,10#!3.7#!10.1 xsection oval |
7049 | | > modeHelix default |
7050 | | |
7051 | | > select #3.7.6 |
7052 | | |
7053 | | 1 model selected |
7054 | | |
7055 | | > select #10.1.7 |
7056 | | |
7057 | | 1 model selected |
7058 | | |
7059 | | > ~select #10.1.7 |
7060 | | |
7061 | | Nothing selected |
7062 | | chain B helix 6 #3.7.6 to chain B helix 7 #10.1.7: distance: 250.982Å; angle: |
7063 | | 4.0° |
7064 | | |
7065 | | > select #3.7.7 |
7066 | | |
7067 | | 1 model selected |
7068 | | |
7069 | | > select #10.1.8 |
7070 | | |
7071 | | 1 model selected |
7072 | | chain B helix 8 #10.1.8 to chain B helix 7 #3.7.7: distance: 133.997Å; angle: |
7073 | | 0.4° |
7074 | | |
7075 | | > ~select #10.1.8 |
7076 | | |
7077 | | Nothing selected |
7078 | | |
7079 | | > cartoon style #3.1-6#3.7.1-7#10.1.1-5,7-8#!3,10#!3.7#!10.1 modeHelix tube |
7080 | | > sides 20 |
7081 | | |
7082 | | > cartoon style #3.1-6#3.7.1-7#10.1.1-5,7-8#!3,10#!3.7#!10.1 xsection oval |
7083 | | > modeHelix default |
7084 | | |
7085 | | > cartoon style #3.1-6#3.7.1-7#10.1.1-5,7-8#!3,10#!3.7#!10.1 modeHelix tube |
7086 | | > sides 20 |
7087 | | |
7088 | | > ui mousemode right "translate selected models" |
7089 | | |
7090 | | value: array([ 0, 150, 255, 255], dtype=uint8) default: None |
7091 | | |
7092 | | > define axis #10 perHelix true color #0096ff name test radius 0.2 |
7093 | | |
7094 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 1' centered at |
7095 | | [138.89432873 118.0602333 148.78947106] with direction [-0.03321708 |
7096 | | -0.02481161 -0.99914014], radius 0.2, and length 21.8343 |
7097 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 2' centered at |
7098 | | [137.22470514 119.20230369 134.81783977] with direction [-0.01245078 |
7099 | | 0.08491942 -0.99631003], radius 0.2, and length 7.63264 |
7100 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 3' centered at |
7101 | | [138.05372817 108.06764281 128.51475989] with direction [ 0.8026101 |
7102 | | -0.59184527 0.07440569], radius 0.2, and length 18.5767 |
7103 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 4' centered at |
7104 | | [145.72161104 116.33145977 124.84189419] with direction [0.1508822 0.53938742 |
7105 | | 0.8284297 ], radius 0.2, and length 16.9619 |
7106 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 5' centered at |
7107 | | [150.81669695 129.65128059 147.93503227] with direction [0.22863824 0.50193185 |
7108 | | 0.83413966], radius 0.2, and length 38.3494 |
7109 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 6' centered at |
7110 | | [155.28565702 143.07274943 150.93031609] with direction [0.52188408 0.82517202 |
7111 | | 0.21616696], radius 0.2, and length 6.46639 |
7112 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 7' centered at |
7113 | | [161.4682541 142.4935721 136.67182626] with direction [ 0.20901679 -0.00098958 |
7114 | | -0.97791155], radius 0.2, and length 21.903 |
7115 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 8' centered at |
7116 | | [167.8756954 139.366525 144.05325253] with direction [0.21956307 0.43124242 |
7117 | | 0.87511258], radius 0.2, and length 36.8449 |
7118 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 9' centered at |
7119 | | [160.91926351 150.94322402 144.77402766] with direction [-0.05428096 |
7120 | | 0.15150463 -0.98696501], radius 0.2, and length 38.4235 |
7121 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 10' centered at |
7122 | | [153.16255893 144.72955059 127.98594293] with direction [-0.39611073 |
7123 | | -0.47095447 0.7882247 ], radius 0.2, and length 12.3565 |
7124 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 11' centered at |
7125 | | [159.05351081 123.17544409 145.89835395] with direction [0.04832853 0.00678212 |
7126 | | 0.99880847], radius 0.2, and length 30.5075 |
7127 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 12' centered at |
7128 | | [156.62467727 129.23983617 166.64295286] with direction [-0.60476875 |
7129 | | 0.72433613 0.33104672], radius 0.2, and length 5.7345 |
7130 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 13' centered at |
7131 | | [157.41472133 133.74646525 168.35308858] with direction [ 0.28281302 |
7132 | | -0.91915742 0.27416498], radius 0.2, and length 5.7588 |
7133 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 14' centered at |
7134 | | [163.09860358 136.86333389 175.22680129] with direction [ 0.34520149 |
7135 | | -0.79444064 0.49969992], radius 0.2, and length 10.8468 |
7136 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 15' centered at |
7137 | | [161.69075667 133.55055861 150.55871106] with direction [-0.36743289 |
7138 | | -0.02621678 -0.92968046], radius 0.2, and length 32.6292 |
7139 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 16' centered at |
7140 | | [141.58698056 132.34284382 157.58710316] with direction [-0.29675497 -0.608367 |
7141 | | 0.73608836], radius 0.2, and length 15.2808 |
7142 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 17' centered at |
7143 | | [143.12102326 127.70175984 146.94348142] with direction [-0.3506446 0.18488988 |
7144 | | -0.9180763 ], radius 0.2, and length 37.8351 |
7145 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain B helix 18' centered at |
7146 | | [138.4415738 140.61248037 144.71229819] with direction [-0.44904978 0.15017058 |
7147 | | 0.88079685], radius 0.2, and length 22.7906 |
7148 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 1' centered at |
7149 | | [163.29064596 182.64512887 148.75598259] with direction [-0.05834301 |
7150 | | 0.00278421 0.99829271], radius 0.2, and length 21.7356 |
7151 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 2' centered at |
7152 | | [165.21133484 181.2794909 134.90715963] with direction [-0.06092366 0.07495203 |
7153 | | 0.99532432], radius 0.2, and length 7.38453 |
7154 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 3' centered at |
7155 | | [164.53561146 192.4729011 128.65578467] with direction [-0.81244329 0.5813858 |
7156 | | 0.04389144], radius 0.2, and length 18.5121 |
7157 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 4' centered at |
7158 | | [157.45680002 184.37817105 123.8528681 ] with direction [-0.32193823 |
7159 | | -0.50009725 0.80390206], radius 0.2, and length 14.3044 |
7160 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 5' centered at |
7161 | | [151.36637968 172.18926675 146.45943825] with direction [-0.2624205 |
7162 | | -0.46650916 0.84469206], radius 0.2, and length 38.9625 |
7163 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 6' centered at |
7164 | | [139.79168852 158.62661407 136.63319875] with direction [-0.20785876 |
7165 | | -0.01337435 -0.97806741], radius 0.2, and length 21.8971 |
7166 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 7' centered at |
7167 | | [133.6554324 161.4499327 144.85609143] with direction [-0.24901695 -0.43824913 |
7168 | | 0.86367139], radius 0.2, and length 28.8519 |
7169 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 8' centered at |
7170 | | [140.13677409 149.89764288 143.42844734] with direction [ 0.05595601 |
7171 | | -0.15755276 -0.98592396], radius 0.2, and length 35.6621 |
7172 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 9' centered at |
7173 | | [148.28963686 155.95675428 127.59072569] with direction [0.45002321 0.52608488 |
7174 | | 0.72160503], radius 0.2, and length 9.98349 |
7175 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 10' centered at |
7176 | | [150.0577348 159.38419006 133.64248285] with direction [ 0.65314182 |
7177 | | -0.01925877 0.75699066], radius 0.2, and length 5.7923 |
7178 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 11' centered at |
7179 | | [142.89437046 178.30495372 145.65238848] with direction [-0.06655957 |
7180 | | -0.00993754 0.99773296], radius 0.2, and length 30.3111 |
7181 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 12' centered at |
7182 | | [144.66131052 173.82859124 165.72848631] with direction [-0.12653854 |
7183 | | -0.9912196 -0.03836286], radius 0.2, and length 5.90297 |
7184 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 13' centered at |
7185 | | [143.98287464 167.83074192 168.24932632] with direction [-0.27621718 |
7186 | | 0.93078782 0.23945377], radius 0.2, and length 5.71805 |
7187 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 14' centered at |
7188 | | [138.04156465 165.70742773 175.38542078] with direction [-0.22092881 |
7189 | | 0.89691282 0.38306377], radius 0.2, and length 11.423 |
7190 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 15' centered at |
7191 | | [139.6405478 167.88023035 151.11277642] with direction [ 0.3546893 0.01839823 |
7192 | | -0.93480319], radius 0.2, and length 34.6455 |
7193 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 16' centered at |
7194 | | [160.210276 168.69872157 158.12497637] with direction [0.49255082 0.48463911 |
7195 | | 0.7228545 ], radius 0.2, and length 12.405 |
7196 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 17' centered at |
7197 | | [158.65506626 173.21794452 146.9061338 ] with direction [ 0.34973132 |
7198 | | -0.20483791 -0.91418239], radius 0.2, and length 37.8498 |
7199 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain C helix 18' centered at |
7200 | | [161.04181351 161.02595429 140.82768715] with direction [ 0.62687875 |
7201 | | -0.11819244 0.77009972], radius 0.2, and length 14.1207 |
7202 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 1' centered at |
7203 | | [168.76700144 141.7958998 185.53240035] with direction [ 0.41814452 |
7204 | | -0.85006236 -0.32023295], radius 0.2, and length 14.3046 |
7205 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 2' centered at |
7206 | | [148.24594739 127.49258116 176.58352434] with direction [ 0.94351814 |
7207 | | 0.14475109 -0.29802793], radius 0.2, and length 5.90175 |
7208 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 3' centered at |
7209 | | [155.45300825 125.8189693 177.34230037] with direction [ 0.94930299 |
7210 | | -0.28394858 -0.13489639], radius 0.2, and length 10.0409 |
7211 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 4' centered at |
7212 | | [151.10493761 119.20162945 182.35952123] with direction [-0.37011828 |
7213 | | 0.49951086 0.78326328], radius 0.2, and length 14.4107 |
7214 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 5' centered at |
7215 | | [147.40439667 123.05661258 190.19266188] with direction [-0.00875559 |
7216 | | -0.79589813 -0.60536725], radius 0.2, and length 5.44482 |
7217 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 6' centered at |
7218 | | [141.57140032 136.12936891 177.8823915 ] with direction [-0.77937561 0.4911306 |
7219 | | 0.38905578], radius 0.2, and length 5.93556 |
7220 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 7' centered at |
7221 | | [149.95074934 133.06815503 185.7198464 ] with direction [ 0.74252233 |
7222 | | -0.64996276 -0.16189194], radius 0.2, and length 18.616 |
7223 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 8' centered at |
7224 | | [157.89141083 124.64099433 184.3669659 ] with direction [ 0.63240665 |
7225 | | -0.47596771 -0.61116002], radius 0.2, and length 6.00605 |
7226 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 9' centered at |
7227 | | [151.32947596 133.32780545 197.91343184] with direction [ 0.71144945 |
7228 | | -0.68998224 0.13328237], radius 0.2, and length 24.2622 |
7229 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 10' centered at |
7230 | | [157.32927478 142.29031805 203.75612885] with direction [ 0.08528956 |
7231 | | -0.98386135 0.15729762], radius 0.2, and length 11.4332 |
7232 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 11' centered at |
7233 | | [167.45280133 143.21626877 209.07861051] with direction [ 0.51964799 |
7234 | | 0.85435156 -0.00702718], radius 0.2, and length 5.78006 |
7235 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain D helix 12' centered at |
7236 | | [165.55567951 155.12922861 205.26760417] with direction [ 0.14497464 |
7237 | | -0.39113787 0.90884186], radius 0.2, and length 12.0269 |
7238 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 1' centered at |
7239 | | [133.39473484 157.07146631 185.87999495] with direction [-0.39860215 |
7240 | | 0.88157301 -0.2528742 ], radius 0.2, and length 19.4134 |
7241 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 2' centered at |
7242 | | [153.07830876 173.80337272 176.46874051] with direction [-0.94017596 |
7243 | | -0.14546857 -0.30807153], radius 0.2, and length 6.02798 |
7244 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 3' centered at |
7245 | | [146.70080408 175.02852424 177.22092458] with direction [-9.91926295e-01 |
7246 | | 3.33135128e-04 -1.26815273e-01], radius 0.2, and length 7.52775 |
7247 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 4' centered at |
7248 | | [150.481171 182.85501584 182.3381486 ] with direction [ 0.32582667 -0.48308072 |
7249 | | 0.81269306], radius 0.2, and length 20.9936 |
7250 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 5' centered at |
7251 | | [160.68109744 176.30491972 183.96304867] with direction [ 0.24314391 |
7252 | | -0.60924617 -0.75478484], radius 0.2, and length 6.12268 |
7253 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 6' centered at |
7254 | | [159.7829355 165.1504365 177.91728631] with direction [ 0.80732077 -0.4232423 |
7255 | | 0.41121665], radius 0.2, and length 5.72695 |
7256 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 7' centered at |
7257 | | [151.26069892 168.44683323 185.62348711] with direction [-0.73463437 |
7258 | | 0.65423124 -0.17970486], radius 0.2, and length 18.5879 |
7259 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 8' centered at |
7260 | | [143.49635171 176.86572021 184.07650532] with direction [-0.61488979 |
7261 | | 0.45748837 -0.6423511 ], radius 0.2, and length 5.84625 |
7262 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 9' centered at |
7263 | | [149.7592522 168.1814334 197.81316584] with direction [-0.71101184 0.69313967 |
7264 | | 0.11840424], radius 0.2, and length 24.3445 |
7265 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 10' centered at |
7266 | | [143.7666456 159.45212789 203.61703639] with direction [ 0.08102842 |
7267 | | -0.98798961 -0.13157097], radius 0.2, and length 11.5155 |
7268 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 11' centered at |
7269 | | [133.80269407 159.30297004 209.29743794] with direction [-0.52713162 |
7270 | | -0.58705225 0.61441184], radius 0.2, and length 5.77119 |
7271 | | Axis 'MolABC_no_nuc_MolA_deleted.pdb #10/test/chain E helix 12' centered at |
7272 | | [135.3884304 146.52843308 205.04864675] with direction [-0.12217055 0.41913337 |
7273 | | 0.89966748], radius 0.2, and length 11.9003 |
7274 | | |
7275 | | > cartoon style #3.1-6#10.2#3.7.1-7#10.1.1-5,7-8#!3,10#!3.7#!10.1 xsection |
7276 | | > oval modeHelix default |
7277 | | |
7278 | | chain B helix 1 #10.2.1 to chain B helix 2 #10.2.2: distance: 1.672Å; angle: |
7279 | | 6.4° |
7280 | | |
7281 | | > select down |
7282 | | |
7283 | | Nothing selected |
7284 | | |
7285 | | > select down |
7286 | | |
7287 | | Nothing selected |
7288 | | |
7289 | | > select down |
7290 | | |
7291 | | Nothing selected |
7292 | | |
7293 | | > select down |
7294 | | |
7295 | | Nothing selected |
7296 | | |
7297 | | > select down |
7298 | | |
7299 | | Nothing selected |
7300 | | |
7301 | | > close #10.2.1-60 |
7302 | | |
7303 | | chain E helix 11 to chain E helix 12: distance: 7.725Å; angle: 68.2° |
7304 | | |
7305 | | > select #10.1.8 |
7306 | | |
7307 | | 1 model selected |
7308 | | |
7309 | | > select #3.7.7 |
7310 | | |
7311 | | 1 model selected |
7312 | | chain B helix 7 #3.7.7 to chain B helix 8 #10.1.8: distance: 133.997Å; angle: |
7313 | | 0.4° |
7314 | | |
7315 | | > ~select #3.7.7 |
7316 | | |
7317 | | Nothing selected |
7318 | | |
7319 | | > select #3.7.8 |
7320 | | |
7321 | | 1 model selected |
7322 | | |
7323 | | > select #10.1.9 |
7324 | | |
7325 | | 1 model selected |
7326 | | chain B helix 8 #3.7.8 to chain B helix 9 #10.1.9: distance: 286.501Å; angle: |
7327 | | 1.5° |
7328 | | |
7329 | | > ~select #10.1.9 |
7330 | | |
7331 | | Nothing selected |
7332 | | |
7333 | | > select #3.7.9 |
7334 | | |
7335 | | 1 model selected |
7336 | | |
7337 | | > select #10.1.10 |
7338 | | |
7339 | | 1 model selected |
7340 | | chain B helix 9 #3.7.9 to chain B helix 10 #10.1.10: distance: 348.095Å; |
7341 | | angle: 10.4° |
7342 | | |
7343 | | > ~select #10.1.10 |
7344 | | |
7345 | | Nothing selected |
7346 | | |
7347 | | > select #3.7.12 |
7348 | | |
7349 | | 1 model selected |
7350 | | |
7351 | | > ~select #3.7.12 |
7352 | | |
7353 | | Nothing selected |
7354 | | |
7355 | | > select #3.7.11 |
7356 | | |
7357 | | 1 model selected |
7358 | | |
7359 | | > select #10.1.11 |
7360 | | |
7361 | | 1 model selected |
7362 | | |
7363 | | > select #3.7.11 |
7364 | | |
7365 | | 1 model selected |
7366 | | |
7367 | | > ~select #3.7.11 |
7368 | | |
7369 | | Nothing selected |
7370 | | |
7371 | | > select #10.1.11 |
7372 | | |
7373 | | 1 model selected |
7374 | | |
7375 | | > ~select #10.1.11 |
7376 | | |
7377 | | Nothing selected |
7378 | | chain B helix 11 #10.1.11 to chain B helix 11 #3.7.11: distance: 235.684Å; |
7379 | | angle: 10.5° |
7380 | | |
7381 | | > select #10.1.11 |
7382 | | |
7383 | | 1 model selected |
7384 | | |
7385 | | > ~select #10.1.11 |
7386 | | |
7387 | | Nothing selected |
7388 | | |
7389 | | > select #3.7.11 |
7390 | | |
7391 | | 1 model selected |
7392 | | |
7393 | | > ~select #3.7.11 |
7394 | | |
7395 | | Nothing selected |
7396 | | chain B helix 11 #3.7.11 to chain B helix 11 #10.1.11: distance: 235.684Å; |
7397 | | angle: 10.5° |
7398 | | |
7399 | | > select #3.7.16 |
7400 | | |
7401 | | 1 model selected |
7402 | | |
7403 | | > select #10.1.15 |
7404 | | |
7405 | | 1 model selected |
7406 | | chain B helix 16 #3.7.16 to chain B helix 15 #10.1.15: distance: 263.346Å; |
7407 | | angle: 0.8° |
7408 | | |
7409 | | > select #10.1.16 |
7410 | | |
7411 | | 1 model selected |
7412 | | |
7413 | | > select #3.7.17 |
7414 | | |
7415 | | 1 model selected |
7416 | | chain B helix 17 #3.7.17 to chain B helix 16 #10.1.16: distance: 326.486Å; |
7417 | | angle: 43.0° |
7418 | | |
7419 | | > ~select #3.7.17 |
7420 | | |
7421 | | Nothing selected |
7422 | | |
7423 | | > select #3.7.19 |
7424 | | |
7425 | | 1 model selected |
7426 | | |
7427 | | > select #10.1.17 |
7428 | | |
7429 | | 1 model selected |
7430 | | chain B helix 17 #10.1.17 to chain B helix 19 #3.7.19: distance: 310.377Å; |
7431 | | angle: 0.7° |
7432 | | |
7433 | | > ~select #10.1.17 |
7434 | | |
7435 | | Nothing selected |
7436 | | |
7437 | | > select #3.7.20 |
7438 | | |
7439 | | 1 model selected |
7440 | | |
7441 | | > select #10.1.18 |
7442 | | |
7443 | | 1 model selected |
7444 | | |
7445 | | > ~select #10.1.18 |
7446 | | |
7447 | | Nothing selected |
7448 | | chain B helix 20 #3.7.20 to chain B helix 18 #10.1.18: distance: 235.004Å; |
7449 | | angle: 0.9° |
7450 | | |
7451 | | > select #3.7.21 |
7452 | | |
7453 | | 1 model selected |
7454 | | |
7455 | | > select #10.1.19 |
7456 | | |
7457 | | 1 model selected |
7458 | | chain C helix 1 #3.7.21 to chain C helix 1 #10.1.19: distance: 230.089Å; |
7459 | | angle: 7.1° |
7460 | | |
7461 | | > ~select #10.1.19 |
7462 | | |
7463 | | Nothing selected |
7464 | | |
7465 | | > select #10.1.20 |
7466 | | |
7467 | | 1 model selected |
7468 | | |
7469 | | > select #3.7.22 |
7470 | | |
7471 | | 1 model selected |
7472 | | chain C helix 2 #3.7.22 to chain C helix 2 #10.1.20: distance: 217.796Å; |
7473 | | angle: 7.6° |
7474 | | |
7475 | | > ~select #3.7.22 |
7476 | | |
7477 | | Nothing selected |
7478 | | |
7479 | | > select #10.1.23 |
7480 | | |
7481 | | 1 model selected |
7482 | | |
7483 | | > select #10.1.22 |
7484 | | |
7485 | | 1 model selected |
7486 | | |
7487 | | > ~select #10.1.22 |
7488 | | |
7489 | | Nothing selected |
7490 | | |
7491 | | > select #10.1.21 |
7492 | | |
7493 | | 1 model selected |
7494 | | |
7495 | | > ~select #10.1.21 |
7496 | | |
7497 | | Nothing selected |
7498 | | |
7499 | | > select #3.7.23 |
7500 | | |
7501 | | 1 model selected |
7502 | | |
7503 | | > select #10.1.23 |
7504 | | |
7505 | | 1 model selected |
7506 | | chain C helix 5 #10.1.23 to chain C helix 3 #3.7.23: distance: 350.237Å; |
7507 | | angle: 1.7° |
7508 | | |
7509 | | > select #10.1.21 |
7510 | | |
7511 | | 1 model selected |
7512 | | |
7513 | | > ~select #10.1.21 |
7514 | | |
7515 | | Nothing selected |
7516 | | |
7517 | | > select #3.7.24 |
7518 | | |
7519 | | 1 model selected |
7520 | | |
7521 | | > select #10.1.24 |
7522 | | |
7523 | | 1 model selected |
7524 | | chain C helix 4 #3.7.24 to chain C helix 6 #10.1.24: distance: 242.240Å; |
7525 | | angle: 2.6° |
7526 | | |
7527 | | > select #3.7.24 |
7528 | | |
7529 | | 1 model selected |
7530 | | |
7531 | | > ~select #3.7.24 |
7532 | | |
7533 | | Nothing selected |
7534 | | |
7535 | | > select #3.7.25 |
7536 | | |
7537 | | 1 model selected |
7538 | | |
7539 | | > select #10.1.25 |
7540 | | |
7541 | | 1 model selected |
7542 | | chain C helix 7 #10.1.25 to chain C helix 5 #3.7.25: distance: 343.916Å; |
7543 | | angle: 1.2° |
7544 | | |
7545 | | > ~select #10.1.25 |
7546 | | |
7547 | | Nothing selected |
7548 | | |
7549 | | > select #3.7.26 |
7550 | | |
7551 | | 1 model selected |
7552 | | |
7553 | | > select #10.1.26 |
7554 | | |
7555 | | 1 model selected |
7556 | | chain C helix 6 #3.7.26 to chain C helix 8 #10.1.26: distance: 190.730Å; |
7557 | | angle: 3.0° |
7558 | | |
7559 | | > ~select #10.1.26 |
7560 | | |
7561 | | Nothing selected |
7562 | | |
7563 | | > select #3.7.26 |
7564 | | |
7565 | | 1 model selected |
7566 | | |
7567 | | > ~select #3.7.26 |
7568 | | |
7569 | | Nothing selected |
7570 | | |
7571 | | > select #10.1.27 |
7572 | | |
7573 | | 1 model selected |
7574 | | |
7575 | | > select #3.7.26 |
7576 | | |
7577 | | 1 model selected |
7578 | | |
7579 | | > select #10.1.26 |
7580 | | |
7581 | | 1 model selected |
7582 | | |
7583 | | > select #3.7.25 |
7584 | | |
7585 | | 1 model selected |
7586 | | |
7587 | | > select #3.7.24 |
7588 | | |
7589 | | 1 model selected |
7590 | | |
7591 | | > ~select #3.7.24 |
7592 | | |
7593 | | Nothing selected |
7594 | | |
7595 | | > select #10.1.27 |
7596 | | |
7597 | | 1 model selected |
7598 | | |
7599 | | > select #3.7.27 |
7600 | | |
7601 | | 1 model selected |
7602 | | chain C helix 7 #3.7.27 to chain C helix 9 #10.1.27: distance: 182.312Å; |
7603 | | angle: 18.3° |
7604 | | |
7605 | | > view matrix models |
7606 | | > #3.7.27,1,3.4694e-17,1.3878e-17,6.0475,4.3672e-16,1,-6.9389e-17,-7.7937,-1.3878e-17,1.3878e-17,1,4.0305 |
7607 | | |
7608 | | > ~select #3.7.27 |
7609 | | |
7610 | | Nothing selected |
7611 | | |
7612 | | > ui mousemode right zoom |
7613 | | |
7614 | | > ui mousemode right "translate selected models" |
7615 | | |
7616 | | > cartoon #3.1-6#10.2#!3,10#!3.7#!10.1 |
7617 | | |
7618 | | > preset cartoons/nucleotides cylinders/stubs |
7619 | | |
7620 | | Using preset: Cartoons/Nucleotides / Cylinders/Stubs |
7621 | | Changed 0 atom styles |
7622 | | Preset expands to these ChimeraX commands: |
7623 | | |
7624 | | |
7625 | | |
7626 | | show nucleic |
7627 | | hide protein|solvent|H |
7628 | | surf hide |
7629 | | style (protein|nucleic|solvent) & @@draw_mode=0 stick |
7630 | | cartoon |
7631 | | cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 |
7632 | | cartoon style ~(nucleic|strand) x round |
7633 | | cartoon style (nucleic|strand) x rect |
7634 | | cartoon style protein modeh tube rad 2 sides 24 thick 0.6 |
7635 | | cartoon style nucleic x round width 1.6 thick 1.6 |
7636 | | nucleotides stubs |
7637 | | |
7638 | | |
7639 | | |
7640 | | > preset cartoons/nucleotides ribbons/slabs |
7641 | | |
7642 | | Using preset: Cartoons/Nucleotides / Ribbons/Slabs |
7643 | | Changed 0 atom styles |
7644 | | Preset expands to these ChimeraX commands: |
7645 | | |
7646 | | |
7647 | | |
7648 | | show nucleic |
7649 | | hide protein|solvent|H |
7650 | | surf hide |
7651 | | style (protein|nucleic|solvent) & @@draw_mode=0 stick |
7652 | | cartoon |
7653 | | cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 |
7654 | | cartoon style ~(nucleic|strand) x round |
7655 | | cartoon style (nucleic|strand) x rect |
7656 | | nucleotides tube/slab shape box |
7657 | | |
7658 | | |
7659 | | |
7660 | | > hide #!10 models |
7661 | | |
7662 | | > select #3/b |
7663 | | |
7664 | | 2323 atoms, 2374 bonds, 2 pseudobonds, 304 residues, 2 models selected |
7665 | | |
7666 | | > color (#!3 & sel) blue |
7667 | | |
7668 | | > select #3/c |
7669 | | |
7670 | | 2234 atoms, 2282 bonds, 2 pseudobonds, 294 residues, 2 models selected |
7671 | | |
7672 | | > color (#!3 & sel) cornflower blue |
7673 | | |
7674 | | > select #3/d |
7675 | | |
7676 | | 1885 atoms, 1919 bonds, 3 pseudobonds, 238 residues, 2 models selected |
7677 | | |
7678 | | > color (#!3 & sel) purple |
7679 | | |
7680 | | > select #3/e |
7681 | | |
7682 | | 1977 atoms, 2016 bonds, 1 pseudobond, 248 residues, 2 models selected |
7683 | | |
7684 | | > ui tool show "Color Actions" |
7685 | | |
7686 | | > color sel violet |
7687 | | |
7688 | | > ~select |
7689 | | |
7690 | | Nothing selected |
7691 | | |
7692 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
7693 | | |
7694 | | > open /Users/alexandrakaragiaridi/Desktop/Pore_for_MolBC_WT_in_DDM.json |
7695 | | |
7696 | | Opened 1 Mole channels in MolBC_WT_in_DDM_chains_renamed.pdb |
7697 | | |
7698 | | > hide #!3 models |
7699 | | |
7700 | | > open |
7701 | | > /Users/alexandrakaragiaridi/Desktop/MolBC_WT_cryo_EM_structure/MolBC_WT_in_DDM_chains_renamed.pdb |
7702 | | |
7703 | | Chain information for MolBC_WT_in_DDM_chains_renamed.pdb #22 |
7704 | | --- |
7705 | | Chain | Description |
7706 | | B | No description available |
7707 | | C | No description available |
7708 | | D | No description available |
7709 | | E | No description available |
7710 | | |
7711 | | |
7712 | | > ui mousemode right zoom |
7713 | | |
7714 | | > close #3 |
7715 | | |
7716 | | > select #22/b |
7717 | | |
7718 | | 2323 atoms, 2374 bonds, 2 pseudobonds, 304 residues, 2 models selected |
7719 | | |
7720 | | > color (#!22 & sel) blue |
7721 | | |
7722 | | > select #22/c |
7723 | | |
7724 | | 2234 atoms, 2282 bonds, 2 pseudobonds, 294 residues, 2 models selected |
7725 | | |
7726 | | > color (#!22 & sel) cornflower blue |
7727 | | |
7728 | | > select #22/d |
7729 | | |
7730 | | 1885 atoms, 1919 bonds, 3 pseudobonds, 238 residues, 2 models selected |
7731 | | |
7732 | | > color (#!22 & sel) purple |
7733 | | |
7734 | | > select #22/e |
7735 | | |
7736 | | 1977 atoms, 2016 bonds, 1 pseudobond, 248 residues, 2 models selected |
7737 | | |
7738 | | > ui tool show "Color Actions" |
7739 | | |
7740 | | > color sel violet |
7741 | | |
7742 | | > ~select |
7743 | | |
7744 | | Nothing selected |
7745 | | |
7746 | | > ui mousemode right "translate selected models" |
7747 | | |
7748 | | > ui mousemode right zoom |
7749 | | |
7750 | | > hide #22 |
7751 | | |
7752 | | > cartoon style width .5 thickness .5 |
7753 | | |
7754 | | > set bgColor light cyan |
7755 | | |
7756 | | > cartoon style width .5 thickness .5 |
7757 | | |
7758 | | > graphics silhouettes true depthJump .01 |
7759 | | |
7760 | | > camera ortho |
7761 | | |
7762 | | > select #21 & @@radius<2 |
7763 | | |
7764 | | 20 atoms, 20 residues, 1 model selected |
7765 | | |
7766 | | > show protein & sel :<2.5 |
7767 | | |
7768 | | > size stickRadius .4 |
7769 | | |
7770 | | Changed 152134 bond radii |
7771 | | |
7772 | | > ~select |
7773 | | |
7774 | | Nothing selected |
7775 | | |
7776 | | > cartoon suppressBackboneDisplay false |
7777 | | |
7778 | | > surface #21 |
7779 | | |
7780 | | > hide #21 |
7781 | | |
7782 | | > color byattribute radius #21 palette puor key true |
7783 | | |
7784 | | > key puor :0.98 :2.09 :3.20 :4.32 :5.43 showTool true |
7785 | | |
7786 | | > ui mousemode right "color key" |
7787 | | |
7788 | | 332 atoms, 332 residues, 1 surfaces, atom radius range 0.975 to 5.43 |
7789 | | |
7790 | | > ui mousemode right zoom |
7791 | | |
7792 | | [Repeated 1 time(s)] |
7793 | | |
7794 | | > ui mousemode right "translate selected models" |
7795 | | |
7796 | | > ui mousemode right "color key" |
7797 | | |
7798 | | > key pos 0.282674,0.137575 size 0.30482,0.05151 |
7799 | | |
7800 | | > ui mousemode right "translate selected models" |
7801 | | |
7802 | | [Repeated 1 time(s)] |
7803 | | |
7804 | | > save /Users/alexandrakaragiaridi/Desktop/image2.png supersample 3 |
7805 | | |
7806 | | > hide #!21 models |
7807 | | |
7808 | | > hide #!21.1 models |
7809 | | |
7810 | | > hide #!22 models |
7811 | | |
7812 | | > hide #3 models |
7813 | | |
7814 | | > open /Users/alexandrakaragiaridi/Desktop/Pore_for_MolBC_WT_in_DM.json |
7815 | | |
7816 | | Opened 1 Mole channels in MolBC_WT_in_DM_chains_renamed.pdb |
7817 | | |
7818 | | > open |
7819 | | > /Users/alexandrakaragiaridi/Desktop/MolBC_WT_cryo_EM_structure/MolBC_WT_in_DM_chains_renamed.pdb |
7820 | | |
7821 | | Chain information for MolBC_WT_in_DM_chains_renamed.pdb #24 |
7822 | | --- |
7823 | | Chain | Description |
7824 | | B | No description available |
7825 | | C | No description available |
7826 | | D | No description available |
7827 | | E | No description available |
7828 | | |
7829 | | |
7830 | | > close #1 |
7831 | | |
7832 | | > select #24/b |
7833 | | |
7834 | | 2489 atoms, 2398 bonds, 2 pseudobonds, 450 residues, 2 models selected |
7835 | | |
7836 | | > color (#!24 & sel) blue |
7837 | | |
7838 | | > select #24/c |
7839 | | |
7840 | | 2420 atoms, 2305 bonds, 2 pseudobonds, 462 residues, 2 models selected |
7841 | | |
7842 | | > color (#!24 & sel) cornflower blue |
7843 | | |
7844 | | > select #24/d |
7845 | | |
7846 | | 2165 atoms, 2035 bonds, 421 residues, 1 model selected |
7847 | | |
7848 | | > color sel purple |
7849 | | |
7850 | | > select #24/e |
7851 | | |
7852 | | 2175 atoms, 2005 bonds, 1 pseudobond, 456 residues, 2 models selected |
7853 | | |
7854 | | > ui tool show "Color Actions" |
7855 | | |
7856 | | > color sel violet |
7857 | | |
7858 | | > select add #24 |
7859 | | |
7860 | | 9249 atoms, 8743 bonds, 5 pseudobonds, 1789 residues, 2 models selected |
7861 | | |
7862 | | > select subtract #24 |
7863 | | |
7864 | | Nothing selected |
7865 | | |
7866 | | > hide #24 |
7867 | | |
7868 | | > cartoon style width .5 thickness .5 |
7869 | | |
7870 | | > graphics silhouettes true depthJump .01 |
7871 | | |
7872 | | > camera ortho |
7873 | | |
7874 | | > select #23 & @@radius<2 |
7875 | | |
7876 | | 43 atoms, 43 residues, 1 model selected |
7877 | | |
7878 | | > show protein & sel :<2.5 |
7879 | | |
7880 | | > size stickRadius .4 |
7881 | | |
7882 | | Changed 152134 bond radii |
7883 | | |
7884 | | > ~select |
7885 | | |
7886 | | Nothing selected |
7887 | | |
7888 | | > cartoon suppressBackboneDisplay false |
7889 | | |
7890 | | > surface #23 |
7891 | | |
7892 | | > hide #23 |
7893 | | |
7894 | | > color byattribute radius #23 palette puor key true |
7895 | | |
7896 | | > key puor :0.79 :2.33 :3.87 :5.41 :6.95 showTool true |
7897 | | |
7898 | | 367 atoms, 367 residues, 1 surfaces, atom radius range 0.793 to 6.95 |
7899 | | |
7900 | | > show #3 models |
7901 | | |
7902 | | > save /Users/alexandrakaragiaridi/Desktop/image1.png supersample 3 |
7903 | | |
7904 | | > hide #!23 models |
7905 | | |
7906 | | > hide #!23.1 models |
7907 | | |
7908 | | > hide #!24 models |
7909 | | |
7910 | | > open /Users/alexandrakaragiaridi/Desktop/Pore_for_MolBC_WT_in_C5.json |
7911 | | |
7912 | | Opened 1 Mole channels in MolBC_WT_in_C5_chains_renamed.pdb |
7913 | | |
7914 | | > view |
7915 | | |
7916 | | > close #5 |
7917 | | |
7918 | | > open |
7919 | | > /Users/alexandrakaragiaridi/Desktop/MolBC_WT_cryo_EM_structure/MolBC_WT_in_C5_chains_renamed.pdb |
7920 | | |
7921 | | Chain information for MolBC_WT_in_C5_chains_renamed.pdb #5 |
7922 | | --- |
7923 | | Chain | Description |
7924 | | B | No description available |
7925 | | C | No description available |
7926 | | D | No description available |
7927 | | E | No description available |
7928 | | |
7929 | | |
7930 | | > select subtract #4 |
7931 | | |
7932 | | Nothing selected |
7933 | | |
7934 | | > ui mousemode right zoom |
7935 | | |
7936 | | > ui mousemode right "translate selected models" |
7937 | | |
7938 | | > ui mousemode right "rotate selected models" |
7939 | | |
7940 | | > ui mousemode right "translate selected models" |
7941 | | |
7942 | | > select #5/b |
7943 | | |
7944 | | 2354 atoms, 2405 bonds, 2 pseudobonds, 309 residues, 2 models selected |
7945 | | |
7946 | | > color (#!5 & sel) blue |
7947 | | |
7948 | | > select #5/c |
7949 | | |
7950 | | 2304 atoms, 2353 bonds, 2 pseudobonds, 303 residues, 2 models selected |
7951 | | |
7952 | | > color (#!5 & sel) cornflower blue |
7953 | | |
7954 | | > select #5/d |
7955 | | |
7956 | | 1996 atoms, 2036 bonds, 251 residues, 1 model selected |
7957 | | |
7958 | | > color sel purple |
7959 | | |
7960 | | > select #5/e |
7961 | | |
7962 | | 2004 atoms, 2044 bonds, 252 residues, 1 model selected |
7963 | | |
7964 | | > ui tool show "Color Actions" |
7965 | | |
7966 | | > color sel violet |
7967 | | |
7968 | | > hide #5 |
7969 | | |
7970 | | > cartoon style width .5 thickness .5 |
7971 | | |
7972 | | > select add #5 |
7973 | | |
7974 | | 8692 atoms, 8874 bonds, 4 pseudobonds, 1116 residues, 2 models selected |
7975 | | |
7976 | | > select subtract #5 |
7977 | | |
7978 | | Nothing selected |
7979 | | |
7980 | | > cartoon style width .5 thickness .5 |
7981 | | |
7982 | | > graphics silhouettes true depthJump .01 |
7983 | | |
7984 | | > camera ortho |
7985 | | |
7986 | | > select #1 & @@radius<2 |
7987 | | |
7988 | | 60 atoms, 60 residues, 1 model selected |
7989 | | |
7990 | | > show protein & sel :<2.5 |
7991 | | |
7992 | | > size stickRadius .4 |
7993 | | |
7994 | | Changed 152134 bond radii |
7995 | | |
7996 | | > ~select |
7997 | | |
7998 | | Nothing selected |
7999 | | |
8000 | | > cartoon suppressBackboneDisplay false |
8001 | | |
8002 | | > surface #1 |
8003 | | |
8004 | | > hide #1 |
8005 | | |
8006 | | > color byattribute radius #1 palette puor |
8007 | | |
8008 | | 287 atoms, 287 residues, 1 surfaces, atom radius range 0.869 to 6.09 |
8009 | | |
8010 | | > color byattribute radius #1 palette puor key true |
8011 | | |
8012 | | > key puor :0.87 :2.17 :3.48 :4.79 :6.09 showTool true |
8013 | | |
8014 | | 287 atoms, 287 residues, 1 surfaces, atom radius range 0.869 to 6.09 |
8015 | | |
8016 | | > ui mousemode right "rotate selected models" |
8017 | | |
8018 | | > save /Users/alexandrakaragiaridi/Desktop/image2.png supersample 3 |
8019 | | |
8020 | | > hide #!5 models |
8021 | | |
8022 | | > hide #!1 models |
8023 | | |
8024 | | > hide #!1.1 models |
8025 | | |
8026 | | > open /Users/alexandrakaragiaridi/Desktop/Pore_for_MolABC_WT_in_DDM.json |
8027 | | |
8028 | | Opened 1 Mole channels in MolABC_no_nuc.pdb |
8029 | | |
8030 | | > open |
8031 | | > /Users/alexandrakaragiaridi/Desktop/MolABC_no_nuc_everything/MolABC_no_nuc.pdb |
8032 | | |
8033 | | Chain information for MolABC_no_nuc.pdb #26 |
8034 | | --- |
8035 | | Chain | Description |
8036 | | A | No description available |
8037 | | B | No description available |
8038 | | C | No description available |
8039 | | D | No description available |
8040 | | E | No description available |
8041 | | |
8042 | | |
8043 | | > view |
8044 | | |
8045 | | > close #7 |
8046 | | |
8047 | | > hide #25.1#!26 atoms |
8048 | | |
8049 | | > show #25.1#!26 cartoons |
8050 | | |
8051 | | > show #25.1#!26 atoms |
8052 | | |
8053 | | > select add #26 |
8054 | | |
8055 | | 11335 atoms, 11571 bonds, 1 pseudobond, 1452 residues, 2 models selected |
8056 | | |
8057 | | > hide sel atoms |
8058 | | |
8059 | | > select subtract #26 |
8060 | | |
8061 | | Nothing selected |
8062 | | |
8063 | | > select subtract #4 |
8064 | | |
8065 | | Nothing selected |
8066 | | |
8067 | | > ui mousemode right "translate selected models" |
8068 | | |
8069 | | > select #26/a |
8070 | | |
8071 | | 2485 atoms, 2532 bonds, 1 pseudobond, 313 residues, 2 models selected |
8072 | | |
8073 | | > color (#!26 & sel) orange |
8074 | | |
8075 | | > select #26/ |
8076 | | |
8077 | | Expected an objects specifier or a keyword |
8078 | | |
8079 | | > select #26/b |
8080 | | |
8081 | | 2441 atoms, 2496 bonds, 320 residues, 1 model selected |
8082 | | |
8083 | | > color sel blue |
8084 | | |
8085 | | > select #26/c |
8086 | | |
8087 | | 2411 atoms, 2465 bonds, 316 residues, 1 model selected |
8088 | | |
8089 | | > color sel cornflower blue |
8090 | | |
8091 | | > select #26/d |
8092 | | |
8093 | | 2003 atoms, 2043 bonds, 252 residues, 1 model selected |
8094 | | |
8095 | | > color sel purple |
8096 | | |
8097 | | > select #26/e |
8098 | | |
8099 | | 1995 atoms, 2035 bonds, 251 residues, 1 model selected |
8100 | | |
8101 | | > ui tool show "Color Actions" |
8102 | | |
8103 | | > color sel violet |
8104 | | |
8105 | | > ~select |
8106 | | |
8107 | | Nothing selected |
8108 | | |
8109 | | > hide #26 |
8110 | | |
8111 | | > cartoon style width .5 thickness .5 |
8112 | | |
8113 | | > graphics silhouettes true depthJump .01 |
8114 | | |
8115 | | > camera ortho |
8116 | | |
8117 | | > select #25 & @@radius<2 |
8118 | | |
8119 | | 22 atoms, 22 residues, 1 model selected |
8120 | | |
8121 | | > show protein & sel :<2.5 |
8122 | | |
8123 | | > size stickRadius .4 |
8124 | | |
8125 | | Changed 152134 bond radii |
8126 | | |
8127 | | > ~select |
8128 | | |
8129 | | Nothing selected |
8130 | | |
8131 | | > cartoon suppressBackboneDisplay false |
8132 | | |
8133 | | > surface #25 |
8134 | | |
8135 | | > hide #25 |
8136 | | |
8137 | | > color byattribute radius #25 palette puor |
8138 | | |
8139 | | 325 atoms, 325 residues, 1 surfaces, atom radius range 0.987 to 4.92 |
8140 | | |
8141 | | > color byattribute radius #25 palette puor key true |
8142 | | |
8143 | | > key puor :0.99 :1.97 :2.96 :3.94 :4.92 showTool true |
8144 | | |
8145 | | 325 atoms, 325 residues, 1 surfaces, atom radius range 0.987 to 4.92 |
8146 | | |
8147 | | > save /Users/alexandrakaragiaridi/Desktop/image2.png supersample 3 |
8148 | | |
8149 | | > hide #!25 models |
8150 | | |
8151 | | > hide #!25.1 models |
8152 | | |
8153 | | > hide #!26 models |
8154 | | |
8155 | | > open |
8156 | | > /Users/alexandrakaragiaridi/Desktop/Pore_for_MolABC_E154Q_AMPPNP_in_DDM.json |
8157 | | |
8158 | | Traceback (most recent call last): |
8159 | | File |
8160 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8161 | | packages/chimerax/open_command/dialog.py", line 162, in _qt_safe |
8162 | | run(session, "open " + " ".join([FileNameArg.unparse(p) for p in paths]) + ("" |
8163 | | File |
8164 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8165 | | packages/chimerax/core/commands/run.py", line 38, in run |
8166 | | results = command.run(text, log=log, return_json=return_json) |
8167 | | File |
8168 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8169 | | packages/chimerax/core/commands/cli.py", line 2897, in run |
8170 | | result = ci.function(session, **kw_args) |
8171 | | File |
8172 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8173 | | packages/chimerax/open_command/cmd.py", line 119, in cmd_open |
8174 | | models = Command(session, registry=registry).run(provider_cmd_text, |
8175 | | log=log)[0] |
8176 | | File |
8177 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8178 | | packages/chimerax/core/commands/cli.py", line 2897, in run |
8179 | | result = ci.function(session, **kw_args) |
8180 | | File |
8181 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8182 | | packages/chimerax/open_command/cmd.py", line 194, in provider_open |
8183 | | models, status = collated_open(session, None, [data], data_format, |
8184 | | _add_models, |
8185 | | File |
8186 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8187 | | packages/chimerax/open_command/cmd.py", line 464, in collated_open |
8188 | | return remember_data_format() |
8189 | | File |
8190 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8191 | | packages/chimerax/open_command/cmd.py", line 435, in remember_data_format |
8192 | | models, status = func(*func_args, **func_kw) |
8193 | | File |
8194 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8195 | | packages/chimerax/mole/__init__.py", line 27, in open |
8196 | | return mole.read_mole_json(session, data, file_name, **kw) |
8197 | | File |
8198 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8199 | | packages/chimerax/mole/mole.py", line 44, in read_mole_json |
8200 | | models = channel_models(session, j['Channels'], transparency/100.0) |
8201 | | File |
8202 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8203 | | packages/chimerax/mole/mole.py", line 83, in channel_models |
8204 | | ms.create_marker((x,y,z), color, r) |
8205 | | File |
8206 | | "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- |
8207 | | packages/chimerax/markers/markers.py", line 26, in create_marker |
8208 | | a.radius = radius |
8209 | | File "atomic_cpp/cymol.pyx", line 456, in |
8210 | | chimerax.atomic.cymol.CyAtom.radius.__set__ |
8211 | | RuntimeError: radius must be positive |
8212 | | |
8213 | | RuntimeError: radius must be positive |
8214 | | |
8215 | | File "atomic_cpp/cymol.pyx", line 456, in |
8216 | | chimerax.atomic.cymol.CyAtom.radius.__set__ |
8217 | | |
8218 | | See log for complete Python traceback. |
8219 | | |
8220 | | |
8221 | | > open |
8222 | | > /Users/alexandrakaragiaridi/Desktop/Pore_for_MolABC_E154Q_AMPPNP_in_DDM_MolA_deleted.json |
8223 | | |
8224 | | Opened 1 Mole channels in MolABC_nuc_MolA_deleted.pdb |
8225 | | |
8226 | | > open "/Users/alexandrakaragiaridi/Desktop/MolABC_nuc_everything/yes |
8227 | | > SBP/MolABC_nuc_MolA_deleted.pdb" |
8228 | | |
8229 | | Chain information for MolABC_nuc_MolA_deleted.pdb #27 |
8230 | | --- |
8231 | | Chain | Description |
8232 | | B | No description available |
8233 | | C | No description available |
8234 | | D E | No description available |
8235 | | |
8236 | | |
8237 | | > close #12 |
8238 | | |
8239 | | > ui mousemode right "rotate selected models" |
8240 | | |
8241 | | > ui mousemode right "translate selected models" |
8242 | | |
8243 | | > select #27/b |
8244 | | |
8245 | | 2278 atoms, 2327 bonds, 1 pseudobond, 299 residues, 2 models selected |
8246 | | |
8247 | | > color (#!27 & sel) blue |
8248 | | |
8249 | | > select #27/c |
8250 | | |
8251 | | 2494 atoms, 2550 bonds, 326 residues, 1 model selected |
8252 | | |
8253 | | > color sel cornflower blue |
8254 | | |
8255 | | > select #27/d |
8256 | | |
8257 | | 1995 atoms, 2035 bonds, 251 residues, 1 model selected |
8258 | | |
8259 | | > color sel purple |
8260 | | |
8261 | | > select #27/e |
8262 | | |
8263 | | 1995 atoms, 2035 bonds, 251 residues, 1 model selected |
8264 | | |
8265 | | > ui tool show "Color Actions" |
8266 | | |
8267 | | > color sel violet |
8268 | | |
8269 | | > ui hideFloating toggle |
8270 | | |
8271 | | > ~select |
8272 | | |
8273 | | Nothing selected |
8274 | | |
8275 | | > select ::name="ANP" |
8276 | | |
8277 | | 176 atoms, 184 bonds, 4 residues, 2 models selected |
8278 | | |
8279 | | > color (#!27 & sel) forest green |
8280 | | |
8281 | | > ~select |
8282 | | |
8283 | | Nothing selected |
8284 | | |
8285 | | > hide #27 |
8286 | | |
8287 | | > show #27 |
8288 | | |
8289 | | > hide #7.1#!27 atoms |
8290 | | |
8291 | | > select ::name="ANP" |
8292 | | |
8293 | | 176 atoms, 184 bonds, 4 residues, 2 models selected |
8294 | | |
8295 | | > show sel & #!27 atoms |
8296 | | |
8297 | | > ~select |
8298 | | |
8299 | | Nothing selected |
8300 | | |
8301 | | > cartoon style width .5 thickness .5 |
8302 | | |
8303 | | > graphics silhouettes true depthJump .01 |
8304 | | |
8305 | | > camera ortho |
8306 | | |
8307 | | > select #7 & @@radius<2 |
8308 | | |
8309 | | 88 atoms, 88 residues, 1 model selected |
8310 | | |
8311 | | > show sel atoms |
8312 | | |
8313 | | > close #7 |
8314 | | |
8315 | | > open |
8316 | | > /Users/alexandrakaragiaridi/Desktop/Pore_for_MolABC_E154Q_AMPPNP_in_DDM_MolA_deleted.json |
8317 | | |
8318 | | Opened 1 Mole channels in MolABC_nuc_MolA_deleted.pdb |
| 2286 | [deleted to fit within ticket limits] |